N,1-dichloro-N-propylmethanesulfonamide

C4H9Cl2NO2S — CID 118574577

IUPACN,1-dichloro-N-propylmethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CCl
InChIInChI=1S/C4H9Cl2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyFHNJBMSDHXTZAK-UHFFFAOYSA-N
MW206.09 g/mol
LogP1.38
Rot. Bonds4

About N,1-dichloro-N-propylmethanesulfonamide

N,1-dichloro-N-propylmethanesulfonamide (PubChem CID 118574577) has the molecular formula C4H9Cl2NO2S and a molecular weight of 206.09 g/mol. Its IUPAC name is N,1-dichloro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN,1-dichloro-N-propylmethanesulfonamide
PubChem CID118574577
Molecular FormulaC4H9Cl2NO2S
Molecular Weight206.09 g/mol
Exact Mass204.97
IUPAC NameN,1-dichloro-N-propylmethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CCl
InChIInChI=1S/C4H9Cl2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyFHNJBMSDHXTZAK-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-fluoro-N-propylmethanesulfonamide
CID 118574543
N,2-dichloro-N-propylethanesulfonamide
CID 57142400
1-chloro-N-iodo-N-propylmethanesulfonamide
CID 118574491
N,1-dichloro-N-ethylmethanesulfonamide
CID 118574558
N-bromo-1-chloro-N-propylmethanesulfonamide
CID 118574647
N-chloro-N-propylmethanesulfonamide
CID 118574681

Frequently Asked Questions

What is the IUPAC name of N,1-dichloro-N-propylmethanesulfonamide?
The IUPAC name of N,1-dichloro-N-propylmethanesulfonamide (CID 118574577) is N,1-dichloro-N-propylmethanesulfonamide.
What is the SMILES notation for N,1-dichloro-N-propylmethanesulfonamide?
The canonical SMILES for N,1-dichloro-N-propylmethanesulfonamide is CCCN(Cl)S(=O)(=O)CCl.
What is the InChIKey of N,1-dichloro-N-propylmethanesulfonamide?
The InChIKey is FHNJBMSDHXTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3.
What are the key properties of N,1-dichloro-N-propylmethanesulfonamide?
N,1-dichloro-N-propylmethanesulfonamide has a molecular weight of 206.09 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dichloro-N-propylmethanesulfonamide is sourced from PubChem (CID 118574577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).