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Chemical ID: 6837110

c1cc(cc(c1)Cl)S(=O)(=O)[N-]c2ccc(cc2)C(=O)Nc3ccncc3

Chemical ID:

6837110

Name [?]:

(3-chlorophenyl)sulfonyl-[4-(4-pyridylcarbamoyl)phenyl]-azanide

SMILES [?]:

c1cc(cc(c1)Cl)S(=O)(=O)[N-]c2ccc(cc2)C(=O)Nc3ccncc3

InChi [?]:

InChI=1/C18H14ClN3O3S/c19-14-2-1-3-17(12-14)26(24,25)22-16-6-4-13(5-7-16)18(23)21-15-8-10-20-11-9-15/h1-12H,(H2,20,21,22,23)/p-1

InChi Info:

AuxInfo=1/6/N:1,6,2,14,16,13,17,22,26,23,25,4,15,5,21,12,3,18,7,24,20,11,19,9,10,8/E:(4,5)(6,7)(8,9)(10,11)(24,25)/CRV:26.6/rA:26nCCCCCCClSOON-CCCCCCCONCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₃ClN₃O₃S-
All Atoms:	39
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	-19.366
Area:	592.476
Solvation:	-34.1779
Coulombic:	-2.04348

Bond Count [?]

All:	28
Single:	16
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	386.833
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.9
LogP (Chemaxon):	2.87

Name Annotations

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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