N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide

C7H16ClNO3S — CID 63667022

IUPACN-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-2-3-4-9(5-6-10)13(11,12)7-8/h10H,2-7H2,1H3
InChIKeyRIIZNXZGKAHVNM-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.61
Rot. Bonds7

About N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide

N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 63667022) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID63667022
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC NameN-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-2-3-4-9(5-6-10)13(11,12)7-8/h10H,2-7H2,1H3
InChIKeyRIIZNXZGKAHVNM-UHFFFAOYSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.61
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

CID 20702534
CID 20702534
CID 61447965
CID 61447965
CID 60958698
CID 60958698
CID 63663913
CID 63663913
CID 63664721
CID 63664721
CID 63664977
CID 63664977
CID 63665510
CID 63665510
CID 63666806
CID 63666806
CID 63666865
CID 63666865
CID 63667021
CID 63667021
CID 63667023
CID 63667023
CID 83084523
CID 83084523

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide (CID 63667022) is N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(=O)(=O)CCl.
What is the InChIKey of N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is RIIZNXZGKAHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-2-3-4-9(5-6-10)13(11,12)7-8/h10H,2-7H2,1H3.
What are the key properties of N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide?
N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-chloro-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 63667022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).