1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid

C14H20N2O4S — CID 115436037

IUPAC1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O4S/c15-21(19,20)12-7-3-2-6-11(12)16-10-14(13(17)18)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,17,18)(H2,15,19,20)
InChIKeySWUXDIUQMUXBEX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.78
Rot. Bonds5

About 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid

1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436037) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115436037
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O4S/c15-21(19,20)12-7-3-2-6-11(12)16-10-14(13(17)18)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,17,18)(H2,15,19,20)
InChIKeySWUXDIUQMUXBEX-UHFFFAOYSA-N
XLogP1.78
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
1-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780
2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106102216
1-[(3-bromo-2-cyanoanilino)methyl]cyclopentane-1-carboxylic acid
CID 114880319
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
1-[[(2-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436141
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
CID 88995988
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662

Frequently Asked Questions

What is the IUPAC name of 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid (CID 115436037) is 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid is NS(=O)(=O)c1ccccc1NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SWUXDIUQMUXBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-21(19,20)12-7-3-2-6-11(12)16-10-14(13(17)18)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-10H2,(H,17,18)(H2,15,19,20).
What are the key properties of 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid?
1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).