N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide

C7H16ClNO2S — CID 104556500

IUPACN-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H16ClNO2S/c1-6(2)12(10,11)9(4)7(3)5-8/h6-7H,5H2,1-4H3
InChIKeyXUQUECKHDGAKJE-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.28
Rot. Bonds4

About N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide

N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide (PubChem CID 104556500) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide
PubChem CID104556500
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC NameN-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H16ClNO2S/c1-6(2)12(10,11)9(4)7(3)5-8/h6-7H,5H2,1-4H3
InChIKeyXUQUECKHDGAKJE-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
CID 106731281
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 104556498
N-(1-chloropropan-2-yl)-N,2,4-trimethylbenzenesulfonamide
CID 104556527
2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 104556518
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
CID 79580807
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
3-chloro-N-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
CID 104555861
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide (CID 104556500) is N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide is CC(CCl)N(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide?
The InChIKey is XUQUECKHDGAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-6(2)12(10,11)9(4)7(3)5-8/h6-7H,5H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide?
N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 104556500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).