1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide

C8H18ClNO3S — CID 63664977

IUPAC1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-8(4-2)10(5-6-11)14(12,13)7-9/h8,11H,3-7H2,1-2H3
InChIKeyCJJWFURLTSKZDP-UHFFFAOYSA-N
MW243.76 g/mol
LogP1.00
Rot. Bonds7

About 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide

1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide (PubChem CID 63664977) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
PubChem CID63664977
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CCO)S(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-8(4-2)10(5-6-11)14(12,13)7-9/h8,11H,3-7H2,1-2H3
InChIKeyCJJWFURLTSKZDP-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.00
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

1,1-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61583011
N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61582939
N-(2-hydroxyethyl)-N-pentan-3-ylpropane-1-sulfonamide
CID 61582972
N-(2-hydroxyethyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 61582973
N-(2-hydroxyethyl)-N-pentan-3-ylethanesulfonamide
CID 61582974
N-(2-hydroxyethyl)-N-pentan-3-ylpropane-2-sulfonamide
CID 61583102
N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61583420
3-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylpropane-1-sulfonamide
CID 61586782
1-chloro-N-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 63663903
1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 63664721
1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 63664755
N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide
CID 63665191

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide (CID 63664977) is 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CCO)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
The InChIKey is CJJWFURLTSKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-3-8(4-2)10(5-6-11)14(12,13)7-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide?
1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 63664977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).