1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid

C13H18N2O4S — CID 61292362

IUPAC1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)11-7-3-2-6-10(11)15-13(12(16)17)8-4-1-5-9-13/h2-3,6-7,15H,1,4-5,8-9H2,(H,16,17)(H2,14,18,19)
InChIKeyKFYLLDFUDTZNTF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid

1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid (PubChem CID 61292362) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
PubChem CID61292362
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)11-7-3-2-6-10(11)15-13(12(16)17)8-4-1-5-9-13/h2-3,6-7,15H,1,4-5,8-9H2,(H,16,17)(H2,14,18,19)
InChIKeyKFYLLDFUDTZNTF-UHFFFAOYSA-N
XLogP1.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436037
1-(2-ethylsulfonylanilino)cyclobutane-1-carboxylic acid
CID 81164243
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 61291221
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid (CID 61292362) is 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid is NS(=O)(=O)c1ccccc1NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is KFYLLDFUDTZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(18,19)11-7-3-2-6-10(11)15-13(12(16)17)8-4-1-5-9-13/h2-3,6-7,15H,1,4-5,8-9H2,(H,16,17)(H2,14,18,19).
What are the key properties of 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid?
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).