1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C17H25NO4S — CID 18679392

IUPAC1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H25NO4S/c1-16(2,3)13-7-9-14(10-8-13)23(21,22)18-17(15(19)20)11-5-4-6-12-17/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyNFQLNZWUUMJXOS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.05
Rot. Bonds4

About 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 18679392) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID18679392
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H25NO4S/c1-16(2,3)13-7-9-14(10-8-13)23(21,22)18-17(15(19)20)11-5-4-6-12-17/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyNFQLNZWUUMJXOS-UHFFFAOYSA-N
XLogP3.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 44669131
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 60728998

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 18679392) is 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is CC(C)(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NFQLNZWUUMJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-16(2,3)13-7-9-14(10-8-13)23(21,22)18-17(15(19)20)11-5-4-6-12-17/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 339.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18679392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).