Chemical ID: 6697381

c1cc(ccc1C(=O)[O-])S(=O)(=O)N
Chemical ID:
6697381
Name [?]:
4-sulfamoylbenzoate
SMILES [?]:
c1cc(ccc1C(=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,13,8,9,11,12,10/E:(1,2)(3,4)(9,10)(11,12)/CRV:13.6/rA:13nCCCCCCCOO-SOON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6NO4S-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-33.6304
Area:348.952
Solvation:-42.3542
Coulombic:-18.0055
Bond Count [?]
All:13
Single:7
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.193
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.38
LogP (Chemaxon):0.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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