1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide

C7H14ClNO3S — CID 65110275

IUPAC1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCC1(O)CCCC1
InChIInChI=1S/C7H14ClNO3S/c8-6-13(11,12)9-5-7(10)3-1-2-4-7/h9-10H,1-6H2
InChIKeyGEUKFFQJQVONQE-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.41
Rot. Bonds4

About 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide

1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (PubChem CID 65110275) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
PubChem CID65110275
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCC1(O)CCCC1
InChIInChI=1S/C7H14ClNO3S/c8-6-13(11,12)9-5-7(10)3-1-2-4-7/h9-10H,1-6H2
InChIKeyGEUKFFQJQVONQE-UHFFFAOYSA-N
XLogP0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide (CID 65110275) is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide is O=S(=O)(CCl)NCC1(O)CCCC1.
What is the InChIKey of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
The InChIKey is GEUKFFQJQVONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c8-6-13(11,12)9-5-7(10)3-1-2-4-7/h9-10H,1-6H2.
What are the key properties of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide?
1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 65110275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).