Chemical ID: 4195988

c1cc(ccc1NC(=O)C2CCC=CC2)S(=O)(=O)N
Chemical ID:
4195988
Name [?]:
N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)C2CCC=CC2)S(=O)(=O)N
InChi [?]:
InChI=1/C13H16N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,15,16)(H2,14,17,18)
InChi Info:
AuxInfo=1/1/N:13,14,12,15,11,1,5,2,4,10,6,3,8,19,7,9,17,18,16/E:(6,7)(8,9)(17,18)/CRV:19.6/rA:19cCCCCCCNCOCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s3;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.48848
Area:458.497
Solvation:-2.97394
Coulombic:-36.9819
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.344
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):1.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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