N-chloro-N-methylethanesulfonamide

C3H8ClNO2S — CID 174844649

IUPACN-chloro-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cl
InChIInChI=1S/C3H8ClNO2S/c1-3-8(6,7)5(2)4/h3H2,1-2H3
InChIKeyWMZPKHPMDWRMBB-UHFFFAOYSA-N
MW157.62 g/mol
LogP0.42
Rot. Bonds2

About N-chloro-N-methylethanesulfonamide

N-chloro-N-methylethanesulfonamide (PubChem CID 174844649) has the molecular formula C3H8ClNO2S and a molecular weight of 157.62 g/mol. Its IUPAC name is N-chloro-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-methylethanesulfonamide
PubChem CID174844649
Molecular FormulaC3H8ClNO2S
Molecular Weight157.62 g/mol
Exact Mass157.00
IUPAC NameN-chloro-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cl
InChIInChI=1S/C3H8ClNO2S/c1-3-8(6,7)5(2)4/h3H2,1-2H3
InChIKeyWMZPKHPMDWRMBB-UHFFFAOYSA-N
XLogP0.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-N-methylmethanesulfonamide
CID 22136679
N,1-dichloro-N-propylmethanesulfonamide
CID 118574577
1-chloro-N-iodo-N-propylmethanesulfonamide
CID 118574491
N-butyl-1-chloro-N-methylmethanesulfonamide
CID 63666140
N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
1-chloro-N,N-dimethylmethanesulfonamide
CID 10931700
N-methyl-N-propylpropane-1-sulfonamide
CID 59491856
[ethylsulfonyl(methyl)sulfamoyl]carbamic acid
CID 19814661
diethyl(diisocyanato)-λ4-sulfane
CID 87239482
N-(1-cyanopropyl)-N-methylsulfamoyl chloride
CID 165441442
2-[ethylsulfonyl(methyl)amino]ethanesulfonic acid
CID 175207479
N-butyl-N-methylsulfamoyl chloride
CID 16770019

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methylethanesulfonamide?
The IUPAC name of N-chloro-N-methylethanesulfonamide (CID 174844649) is N-chloro-N-methylethanesulfonamide.
What is the SMILES notation for N-chloro-N-methylethanesulfonamide?
The canonical SMILES for N-chloro-N-methylethanesulfonamide is CCS(=O)(=O)N(C)Cl.
What is the InChIKey of N-chloro-N-methylethanesulfonamide?
The InChIKey is WMZPKHPMDWRMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2S/c1-3-8(6,7)5(2)4/h3H2,1-2H3.
What are the key properties of N-chloro-N-methylethanesulfonamide?
N-chloro-N-methylethanesulfonamide has a molecular weight of 157.62 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methylethanesulfonamide is sourced from PubChem (CID 174844649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).