3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide

C13H18ClNO3S — CID 75469633

IUPAC3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3S/c14-11-6-3-7-12(8-11)19(17,18)15-9-13(16)10-4-1-2-5-10/h3,6-8,10,13,15-16H,1-2,4-5,9H2
InChIKeyHFQGAWCBMVDDLP-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.17
Rot. Bonds5

About 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide

3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide (PubChem CID 75469633) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
PubChem CID75469633
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO3S/c14-11-6-3-7-12(8-11)19(17,18)15-9-13(16)10-4-1-2-5-10/h3,6-8,10,13,15-16H,1-2,4-5,9H2
InChIKeyHFQGAWCBMVDDLP-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
CID 106585025
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835429
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide (CID 75469633) is 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCC(O)C1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide?
The InChIKey is HFQGAWCBMVDDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-6-3-7-12(8-11)19(17,18)15-9-13(16)10-4-1-2-5-10/h3,6-8,10,13,15-16H,1-2,4-5,9H2.
What are the key properties of 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide?
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 75469633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).