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Chemical ID: 6471347

c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Cl)S(=O)(=O)Nc3nnc(s3)S(=O)(=O)N

Chemical ID:

6471347

Name [?]:

5-[4-(4-chlorophenyl)sulfonylaminophenyl]sulfonylamino-1,3,4-thiadiazole-2-sulfonamide

SMILES [?]:

c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Cl)S(=O)(=O)Nc3nnc(s3)S(=O)(=O)N

InChi [?]:

InChI=1/C14H12ClN5O6S4/c15-9-1-5-11(6-2-9)29(23,24)19-10-3-7-12(8-4-10)30(25,26)20-13-17-18-14(27-13)28(16,21)22/h1-8,19H,(H,17,20)(H2,16,21,22)

InChi Info:

AuxInfo=1/1/N:13,15,1,5,12,16,2,4,14,6,11,3,22,25,17,30,23,24,7,21,28,29,9,10,19,20,26,27,8,18/E:(1,2)(3,4)(5,6)(7,8)(21,22)(23,24)(25,26)/CRV:28.6,29.6,30.6/rA:30nCCCCCCNSOOCCCCCCClSOONCNNCSSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s3;d18;d18;s18;s21;d22;s23;d24;s22s25;s25;d27;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂ClN₅O₆S₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2792
Area:	639.241
Solvation:	-4.70181
Coulombic:	-46.07

Bond Count [?]

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

Chemical Properties

Molecular Weight:	509.992
H-Bond Donors:	4
H-Bond Acceptors:	9
XLogP:	1.77
LogP (Chemaxon):	1.15

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

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Chemical Mix	Source	External ID	Descriptor	Value