1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

C14H18ClNO4S — CID 78840798

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCO)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H18ClNO4S/c15-11-3-5-12(6-4-11)21(19,20)14(7-1-2-8-14)13(18)16-9-10-17/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyJYQOFTGAGYZKQP-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.53
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (PubChem CID 78840798) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
PubChem CID78840798
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCO)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H18ClNO4S/c15-11-3-5-12(6-4-11)21(19,20)14(7-1-2-8-14)13(18)16-9-10-17/h3-6,17H,1-2,7-10H2,(H,16,18)
InChIKeyJYQOFTGAGYZKQP-UHFFFAOYSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
CID 138992199
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55634206
1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
CID 46399799
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
CID 55970560
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (CID 78840798) is 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is O=C(NCCO)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The InChIKey is JYQOFTGAGYZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-11-3-5-12(6-4-11)21(19,20)14(7-1-2-8-14)13(18)16-9-10-17/h3-6,17H,1-2,7-10H2,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide has a molecular weight of 331.82 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 78840798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).