2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide

C15H21ClN2O4S — CID 98775845

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCC[C@H]1CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-18(23(21,22)13-7-5-12(16)6-8-13)9-15(20)17-14-4-2-3-11(14)10-19/h5-8,11,14,19H,2-4,9-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyCEFJNHAPOHNSTG-SMDDNHRTSA-N
MW360.86 g/mol
LogP1.24
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 98775845) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID98775845
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCC[C@H]1CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-18(23(21,22)13-7-5-12(16)6-8-13)9-15(20)17-14-4-2-3-11(14)10-19/h5-8,11,14,19H,2-4,9-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyCEFJNHAPOHNSTG-SMDDNHRTSA-N
XLogP1.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7918992
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 42906780
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide (CID 98775845) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide is CN(CC(=O)N[C@@H]1CCC[C@H]1CO)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is CEFJNHAPOHNSTG-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-18(23(21,22)13-7-5-12(16)6-8-13)9-15(20)17-14-4-2-3-11(14)10-19/h5-8,11,14,19H,2-4,9-10H2,1H3,(H,17,20)/t11-,14+/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 360.86 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 98775845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).