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Chemical ID: 4478388
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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