Chemical ID: 7243804

CCNS(=O)(=O)c1ccc(c(c1)C(=O)O)C
Chemical ID:
7243804
Name [?]:
5-(ethylsulfamoyl)-2-methyl-benzoic acid
SMILES [?]:
CCNS(=O)(=O)c1ccc(c(c1)C(=O)O)C
InChi [?]:
InChI=1/C10H13NO4S/c1-3-11-16(14,15)8-5-4-7(2)9(6-8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,16,2,9,8,12,10,7,11,13,3,14,15,5,6,4/E:(12,13)(14,15)/CRV:16.6/rA:16nCCNSOOCCCCCCCOOC/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO4S
All Atoms:29
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:7.68935
Area:410.695
Solvation:-2.57801
Coulombic:-39.3012
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.35
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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