N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide

C12H16ClNO2S — CID 105060342

IUPACN-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
SMILESCC(CCl)(NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H16ClNO2S/c1-12(9-13,10-5-3-2-4-6-10)14-17(15,16)11-7-8-11/h2-6,11,14H,7-9H2,1H3
InChIKeyRHFGQNCCJXSBBV-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.22
Rot. Bonds5

About N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide

N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide (PubChem CID 105060342) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
PubChem CID105060342
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
SMILESCC(CCl)(NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H16ClNO2S/c1-12(9-13,10-5-3-2-4-6-10)14-17(15,16)11-7-8-11/h2-6,11,14H,7-9H2,1H3
InChIKeyRHFGQNCCJXSBBV-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.22
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

N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060280
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
ethyl N-[(1-chloro-2-phenylpropan-2-yl)sulfamoyl]carbamate
CID 105060300
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 105059667
N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060601
1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
CID 105059436
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 105060261
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide (CID 105060342) is N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide is CC(CCl)(NS(=O)(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide?
The InChIKey is RHFGQNCCJXSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-12(9-13,10-5-3-2-4-6-10)14-17(15,16)11-7-8-11/h2-6,11,14H,7-9H2,1H3.
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide?
N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide has a molecular weight of 273.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide is sourced from PubChem (CID 105060342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).