3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide

C10H20ClNO3S — CID 60958952

IUPAC3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)C1CCCC1
InChIInChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12(7-8-13)10-4-1-2-5-10/h10,13H,1-9H2
InChIKeyGGXLDWRZFDXGHT-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.18
Rot. Bonds7

About 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide

3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 60958952) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID60958952
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)C1CCCC1
InChIInChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12(7-8-13)10-4-1-2-5-10/h10,13H,1-9H2
InChIKeyGGXLDWRZFDXGHT-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.18
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

3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 43653855
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 43653865
3-chloro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-1-sulfonamide
CID 54877164
3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 54877271
3-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 54877482
N-butyl-3-chloro-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958698
3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide
CID 60958814
[1-(3-Chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 61582945
N-cyclopentyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 61582978
N-cyclopentyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 61582979
N-cyclopentyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 61583297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide (CID 60958952) is 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)N(CCO)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is GGXLDWRZFDXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-6-3-9-16(14,15)12(7-8-13)10-4-1-2-5-10/h10,13H,1-9H2.
What are the key properties of 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 60958952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).