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

C8H16ClNO3S — CID 43653865

IUPAC3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)C1CC1
InChIInChI=1S/C8H16ClNO3S/c9-4-1-7-14(12,13)10(5-6-11)8-2-3-8/h8,11H,1-7H2
InChIKeyMVRRBPLRXAEAJA-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.40
Rot. Bonds7

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

3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 43653865) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID43653865
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N(CCO)C1CC1
InChIInChI=1S/C8H16ClNO3S/c9-4-1-7-14(12,13)10(5-6-11)8-2-3-8/h8,11H,1-7H2
InChIKeyMVRRBPLRXAEAJA-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.40
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

Propane-1-sulfonic acid cyclopropyl-(2-hydroxy-ethyl)-amide
CID 43577530
N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 43577532
3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 43653855
3-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 54877482
N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 60865129
3-chloro-N-ethyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958696
N-butyl-3-chloro-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958698
3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide
CID 60958814
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
3-chloro-N,N-bis(2-hydroxyethyl)propane-1-sulfonamide
CID 60959311
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide
CID 60959882
3-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpropane-1-sulfonamide
CID 61040548

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide (CID 43653865) is 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)N(CCO)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is MVRRBPLRXAEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-4-1-7-14(12,13)10(5-6-11)8-2-3-8/h8,11H,1-7H2.
What are the key properties of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 43653865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).