1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

C8H16ClNO3S — CID 63666815

IUPAC1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CCO)C1CCCC1
InChIInChI=1S/C8H16ClNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2
InChIKeyBFLSXVQZWLDPJX-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.75
Rot. Bonds5

About 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide

1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 63666815) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID63666815
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CCO)C1CCCC1
InChIInChI=1S/C8H16ClNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2
InChIKeyBFLSXVQZWLDPJX-UHFFFAOYSA-N
XLogP0.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 60958952
CID 60958952
CID 61582945
CID 61582945
CID 61582978
CID 61582978
CID 61582979
CID 61582979
CID 61583297
CID 61583297
CID 61583420
CID 61583420
CID 63663903
CID 63663903
CID 63664721
CID 63664721
CID 63664977
CID 63664977
CID 79589482
CID 79589482
CID 83084402
CID 83084402
CID 107651195
CID 107651195

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide (CID 63666815) is 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(CCl)N(CCO)C1CCCC1.
What is the InChIKey of 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is BFLSXVQZWLDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-7-14(12,13)10(5-6-11)8-3-1-2-4-8/h8,11H,1-7H2.
What are the key properties of 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide?
1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 63666815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).