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Chemical ID: 5322680

c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)Cl)[N+](=O)[O-]

Chemical ID:

5322680

Name [?]:

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide

SMILES [?]:

c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H14ClN3O6S2/c19-13-4-6-14(7-5-13)20-29(25,26)17-10-8-15(9-11-17)21-30(27,28)18-3-1-2-16(12-18)22(23)24/h1-12,20-21H

InChi Info:

AuxInfo=1/0/N:1,2,6,23,25,22,26,12,16,13,15,4,24,21,11,3,14,5,27,20,10,28,29,30,18,19,8,9,17,7/E:(4,5)(6,7)(8,9)(10,11)(23,24)(25,26)(27,28)/CRV:22.5,29.6,30.6/rA:30nCCCCCCSOONCCCCCCSOONCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;d17;d17;s17;s20;s21;d22;s23;d24;d21s25;s24;s3;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₄ClN₃O₆S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	6.28505
Area:	581.219
Solvation:	-8.24543
Coulombic:	-35.358

Bond Count [?]

All:	32
Single:	18
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	467.905
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	3.8
LogP (Chemaxon):	3.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value