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Chemical ID: 4962274
Chemical ID:
4962274
Name [?]:
4-(cyclohexylsulfamoyl)benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)S(=O)(=O)NC2CCCCC2
InChi [?]:
InChI=1/C13H17NO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,5,2,4,6,14,3,7,13,8,9,11,12,10/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCCOOSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89426 |
Area: | 459.76 |
Solvation: | -2.59973 |
Coulombic: | -40.463 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.344 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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