Chemical ID: 4478388

Cc1ccc(cc1S(=O)(=O)NC(C)C)C(=O)O
Chemical ID:
4478388
Name [?]:
3-(isopropylsulfamoyl)-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)NC(C)C)C(=O)O
InChi [?]:
InChI=1/C11H15NO4S/c1-7(2)12-17(15,16)10-6-9(11(13)14)5-4-8(10)3/h4-7,12H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:13,14,1,3,4,6,12,2,5,7,15,11,16,17,9,10,8/E:(1,2)(13,14)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s12;s5;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.98116
Area:422.435
Solvation:-2.57971
Coulombic:-39.5336
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.307
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.6
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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