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Chemical ID: 7294095

Chemical ID:

7294095

Name [?]:

1-methyl-N-[4-(methylsulfamoyl)phenyl]-pyrrole-2-carboxamide

SMILES [?]:

CNS(=O)(=O)c1ccc(cc1)NC(=O)c2cccn2C

InChi [?]:

InChI=1/C13H15N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)15-13(17)12-4-3-9-16(12)2/h3-9,14H,1-2H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,20,17,16,8,10,7,11,18,9,6,15,13,2,12,19,14,4,5,3/E:(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCNSOOCCCCCCNCOCCCCNC/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;d17;s15s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₅N₃O₃S
All Atoms:	35
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73956
Area:	471.39
Solvation:	-3.04518
Coulombic:	-39.5362

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	293.343
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.96
LogP (Chemaxon):	1.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value