Chemical ID: 4962196

CCCCNS(=O)(=O)c1ccc(cc1)C(=O)O
Chemical ID:
4962196
Name [?]:
4-(butylsulfamoyl)benzoic acid
SMILES [?]:
CCCCNS(=O)(=O)c1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C11H15NO4S/c1-2-3-8-12-17(15,16)10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,13,10,14,4,12,9,15,5,16,17,7,8,6/E:(4,5)(6,7)(13,14)(15,16)/CRV:17.6/rA:17nCCCCNSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.55617
Area:449.091
Solvation:-2.6711
Coulombic:-40.209
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.307
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.84
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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