1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide

C7H14ClNO3S — CID 63665826

IUPAC1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO3S/c1-12-7-4-2-3-6(7)9-13(10,11)5-8/h6-7,9H,2-5H2,1H3
InChIKeyJGAVLCGMXRUWKC-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.67
Rot. Bonds4

About 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide

1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide (PubChem CID 63665826) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
PubChem CID63665826
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H14ClNO3S/c1-12-7-4-2-3-6(7)9-13(10,11)5-8/h6-7,9H,2-5H2,1H3
InChIKeyJGAVLCGMXRUWKC-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.67
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

4-amino-N-(2-methoxycyclopentyl)butane-1-sulfonamide
CID 62087494
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
CID 55033603
1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
CID 58216275
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
N-(2-methoxycyclopentyl)piperidine-3-sulfonamide
CID 55033326
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N-(2-methoxycyclopentyl)formamide
CID 64992679
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 62087824

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide (CID 63665826) is 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide is COC1CCCC1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide?
The InChIKey is JGAVLCGMXRUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-12-7-4-2-3-6(7)9-13(10,11)5-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide?
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide is sourced from PubChem (CID 63665826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).