N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide

C10H22ClNO3S — CID 89281474

IUPACN-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide
SMILESCCCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-3-4-7-12(8-9-15-2)16(13,14)10-5-6-11/h3-10H2,1-2H3
InChIKeyQAHQJFCZRSVKDW-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.69
Rot. Bonds10

About N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide

N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide (PubChem CID 89281474) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide
PubChem CID89281474
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide
SMILESCCCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-3-4-7-12(8-9-15-2)16(13,14)10-5-6-11/h3-10H2,1-2H3
InChIKeyQAHQJFCZRSVKDW-UHFFFAOYSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide?
The IUPAC name of N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide (CID 89281474) is N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide.
What is the SMILES notation for N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide?
The canonical SMILES for N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide is CCCCN(CCOC)S(=O)(=O)CCCCl.
What is the InChIKey of N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide?
The InChIKey is QAHQJFCZRSVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-3-4-7-12(8-9-15-2)16(13,14)10-5-6-11/h3-10H2,1-2H3.
What are the key properties of N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide?
N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 89281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).