3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide

C11H16ClNO2S — CID 79580450

IUPAC3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-10(8-12)9-16(14,15)13(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyYUYSVIUTQSZGOM-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide

3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide (PubChem CID 79580450) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
PubChem CID79580450
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-10(8-12)9-16(14,15)13(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyYUYSVIUTQSZGOM-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.33
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

3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide
CID 79585711
N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092
N-benzyl-3-chloro-2-methyl-N-propylpropane-1-sulfonamide
CID 79580738
3-chloro-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 79580904
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
3-chloro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]propane-1-sulfonamide
CID 79585651
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
3-chloro-N-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide (CID 79580450) is 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide?
The InChIKey is YUYSVIUTQSZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-10(8-12)9-16(14,15)13(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide is sourced from PubChem (CID 79580450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).