Chemical ID: 3999333

Cc1ccc(cc1C(=O)O)S(=O)(=O)NC(C)(C)C
Chemical ID:
3999333
Name [?]:
2-methyl-5-(tert-butylsulfamoyl)benzoic acid
SMILES [?]:
Cc1ccc(cc1C(=O)O)S(=O)(=O)NC(C)(C)C
InChi [?]:
InChI=1/C12H17NO4S/c1-8-5-6-9(7-10(8)11(14)15)18(16,17)13-12(2,3)4/h5-7,13H,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,3,4,6,2,5,7,8,15,14,9,10,12,13,11/E:(2,3,4)(14,15)(16,17)/CRV:18.6/rA:18nCCCCCCCCOOSOONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.18758
Area:425.535
Solvation:-2.45079
Coulombic:-39.6851
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.334
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.22
LogP (Chemaxon):1.74

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Descriptor Annotations

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