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Chemical ID: 7468741

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3cccnc3

Chemical ID:

7468741

Name [?]:

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

SMILES [?]:

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3cccnc3

InChi [?]:

InChI=1/C19H17N3O4S/c1-26-17-8-4-16(5-9-17)22-27(24,25)18-10-6-15(7-11-18)21-19(23)14-3-2-12-20-13-14/h2-13,22H,1H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,24,23,5,7,15,17,4,8,14,18,25,27,22,16,6,3,13,20,26,19,9,21,11,12,2,10/E:(4,5)(6,7)(8,9)(10,11)(24,25)/CRV:27.6/rA:27nCOCCCCCCNSOOCCCCCCNCOCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇N₃O₄S
All Atoms:	44
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81174
Area:	585.396
Solvation:	-4.82315
Coulombic:	-44.6331

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	383.422
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.35
LogP (Chemaxon):	2.1

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