3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide

C8H18ClNO3S — CID 60958814

IUPAC3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCl
InChIInChI=1S/C8H18ClNO3S/c1-2-5-10(6-7-11)14(12,13)8-3-4-9/h11H,2-8H2,1H3
InChIKeyHAROFSPIFRLXGY-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.65
Rot. Bonds8

About 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide

3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide (PubChem CID 60958814) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide
PubChem CID60958814
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCl
InChIInChI=1S/C8H18ClNO3S/c1-2-5-10(6-7-11)14(12,13)8-3-4-9/h11H,2-8H2,1H3
InChIKeyHAROFSPIFRLXGY-UHFFFAOYSA-N
XLogP0.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.65
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)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79586108
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 107483904
4-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 107483905
N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 39242554
N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide
CID 89281474
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,N-bis(2-methoxyethyl)propane-1-sulfonamide
CID 43654281
3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 54877271
3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide
CID 54880203
3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide
CID 60958478
3-chloro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide
CID 60958587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide (CID 60958814) is 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide is CCCN(CCO)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide?
The InChIKey is HAROFSPIFRLXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-2-5-10(6-7-11)14(12,13)8-3-4-9/h11H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide?
3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 60958814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).