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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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