Chemical ID: 3999624

CCNS(=O)(=O)c1cccc(c1)C(=O)O
Chemical ID:
3999624
Name [?]:
3-(ethylsulfamoyl)benzoic acid
SMILES [?]:
CCNS(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C9H11NO4S/c1-2-10-15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,12,11,7,13,3,14,15,5,6,4/E:(11,12)(13,14)/CRV:15.6/rA:15nCCNSOOCCCCCCCOO/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;d7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.18057
Area:395.378
Solvation:-2.70388
Coulombic:-39.3007
Bond Count [?]
All:15
Single:9
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.254
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.91
LogP (Chemaxon):0.78

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Descriptor Annotations

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