2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid

C14H18ClNO4S — CID 2936747

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,18)
InChIKeyZUHOWSCMICEHEH-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.75
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid (PubChem CID 2936747) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid
PubChem CID2936747
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,18)
InChIKeyZUHOWSCMICEHEH-UHFFFAOYSA-N
XLogP2.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorobenzene-1-sulfonyl)proline
CID 2765064
2-[(3-Chlorophenyl)sulfonyl-(3-methoxypropyl)amino]acetic acid
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N-cyclohexyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1534374
2-(N-methyl-4-chlorobenzenesulfonamido)acetic acid
CID 362744
2-(N-benzyl4-chlorobenzenesulfonamido)acetic acid
CID 1353981
2-[N-(prop-2-en-1-yl)4-chlorobenzenesulfonamido]acetic acid
CID 2095452
N-[(4-chlorophenyl)sulfonyl]-N-(2-phenylethyl)glycine
CID 1119906
1-((4-Chlorophenyl)sulfonyl)piperidine-2-carboxylic acid
CID 2769958
N-cyclohexyl-N-(phenylsulfonyl)glycine
CID 1282427
(((4-Chlorophenyl)sulfonyl)(isobutyl)amino)acetic acid
CID 5081152
1-[(2-Chlorophenyl)sulfonyl]piperidine-2-carboxylic acid
CID 3812420
L-Proline, 1-[(4-chlorophenyl)sulfonyl]-
CID 737255

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid (CID 2936747) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid is O=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid?
The InChIKey is ZUHOWSCMICEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid has a molecular weight of 331.82 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetic acid is sourced from PubChem (CID 2936747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).