1-chloro-N-propan-2-ylmethanesulfonamide

C4H10ClNO2S — CID 3016718

IUPAC1-chloro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCl
InChIInChI=1S/C4H10ClNO2S/c1-4(2)6-9(7,8)3-5/h4,6H,3H2,1-2H3
InChIKeyIVJMOAOVJAYQGH-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.51
Rot. Bonds3

About 1-chloro-N-propan-2-ylmethanesulfonamide

1-chloro-N-propan-2-ylmethanesulfonamide (PubChem CID 3016718) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 1-chloro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-propan-2-ylmethanesulfonamide
PubChem CID3016718
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name1-chloro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCl
InChIInChI=1S/C4H10ClNO2S/c1-4(2)6-9(7,8)3-5/h4,6H,3H2,1-2H3
InChIKeyIVJMOAOVJAYQGH-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methanesulfonamide, 1-chloro-N-ethyl-
CID 171110
N-(propan-2-yl)methanesulfonamide
CID 312702
N-cyclopropylmethanesulfonamide
CID 5112945
1-Chloro-N-propylmethanesulfonamide
CID 3016696
1-fluoro-N-propan-2-ylmethanesulfonamide
CID 88291726
N-butan-2-yl-1,1,1-trichloromethanesulfonamide
CID 12388063
1-chloro-N-(4,4,4-trifluorobutan-2-yl)methanesulfonamide
CID 105943958
1-chloro-N-(3-fluoropropyl)methanesulfonamide
CID 130504898
1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide
CID 131228147
n-(3-Chloropropyl)methanesulfonamide
CID 230924
N-(1-Methylpropyl)methanesulfonamide
CID 4075930
N-pentan-2-ylmethanesulfonamide
CID 4469405

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-chloro-N-propan-2-ylmethanesulfonamide (CID 3016718) is 1-chloro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-propan-2-ylmethanesulfonamide?
The InChIKey is IVJMOAOVJAYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-4(2)6-9(7,8)3-5/h4,6H,3H2,1-2H3.
What are the key properties of 1-chloro-N-propan-2-ylmethanesulfonamide?
1-chloro-N-propan-2-ylmethanesulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 3016718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).