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Chemical ID: 6984232

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2)S(=O)(=O)NC3CCCCC3

Chemical ID:

6984232

Name [?]:

N-[4-(cyclohexylsulfamoyl)phenyl]-3-nitro-benzamide

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2)S(=O)(=O)NC3CCCCC3

InChi [?]:

InChI=1/C19H21N3O5S/c23-19(14-5-4-8-17(13-14)22(24)25)20-15-9-11-18(12-10-15)28(26,27)21-16-6-2-1-3-7-16/h4-5,8-13,16,21H,1-3,6-7H2,(H,20,23)

InChi Info:

AuxInfo=1/1/N:26,25,27,1,2,24,28,6,14,18,15,17,4,3,13,23,5,16,10,12,22,7,11,8,9,20,21,19/E:(2,3)(6,7)(9,10)(11,12)(24,25)(26,27)/CRV:22.5,28.6/rA:28nCCCCCCN+OO-CONCCCCCCSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃O₅S
All Atoms:	49
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	6.87116
Area:	615.259
Solvation:	-8.51033
Coulombic:	-45.1187

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	403.453
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.44
LogP (Chemaxon):	3.52

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