3-chloro-N-methoxypropane-1-sulfonamide

C4H10ClNO3S — CID 10375205

IUPAC3-chloro-N-methoxypropane-1-sulfonamide
SMILESCONS(=O)(=O)CCCCl
InChIInChI=1S/C4H10ClNO3S/c1-9-6-10(7,8)4-2-3-5/h6H,2-4H2,1H3
InChIKeyCTZFHDZXVCXCDB-UHFFFAOYSA-N
MW187.65 g/mol
LogP0.10
Rot. Bonds5

About 3-chloro-N-methoxypropane-1-sulfonamide

3-chloro-N-methoxypropane-1-sulfonamide (PubChem CID 10375205) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is 3-chloro-N-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methoxypropane-1-sulfonamide
PubChem CID10375205
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC Name3-chloro-N-methoxypropane-1-sulfonamide
SMILESCONS(=O)(=O)CCCCl
InChIInChI=1S/C4H10ClNO3S/c1-9-6-10(7,8)4-2-3-5/h6H,2-4H2,1H3
InChIKeyCTZFHDZXVCXCDB-UHFFFAOYSA-N
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxypropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methoxypropane-1-sulfonamide (CID 10375205) is 3-chloro-N-methoxypropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methoxypropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methoxypropane-1-sulfonamide is CONS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methoxypropane-1-sulfonamide?
The InChIKey is CTZFHDZXVCXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO3S/c1-9-6-10(7,8)4-2-3-5/h6H,2-4H2,1H3.
What are the key properties of 3-chloro-N-methoxypropane-1-sulfonamide?
3-chloro-N-methoxypropane-1-sulfonamide has a molecular weight of 187.65 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxypropane-1-sulfonamide is sourced from PubChem (CID 10375205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).