1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate

C13H15ClNO4S- — CID 4252683

IUPAC1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESO=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-10-4-6-11(7-5-10)20(18,19)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17)/p-1
InChIKeyPCSNDUHMIZCBDH-UHFFFAOYSA-M
MW316.79 g/mol
LogP1.07
Rot. Bonds4

About 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate

1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 4252683) has the molecular formula C13H15ClNO4S- and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
PubChem CID4252683
Molecular FormulaC13H15ClNO4S-
Molecular Weight316.79 g/mol
Exact Mass316.04
IUPAC Name1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESO=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-10-4-6-11(7-5-10)20(18,19)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17)/p-1
InChIKeyPCSNDUHMIZCBDH-UHFFFAOYSA-M
XLogP1.07
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 10387732
1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 2097919
4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 134103778
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
CID 90594923

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate (CID 4252683) is 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate is O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is PCSNDUHMIZCBDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16ClNO4S/c14-10-4-6-11(7-5-10)20(18,19)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17)/p-1.
What are the key properties of 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 316.79 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 4252683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).