N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide

C12H18ClNO2S — CID 105060280

IUPACN-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C12H18ClNO2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
InChIKeyCHRCWYWQBMXRSK-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.47
Rot. Bonds6

About N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide

N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide (PubChem CID 105060280) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
PubChem CID105060280
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C12H18ClNO2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
InChIKeyCHRCWYWQBMXRSK-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.47
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-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060601
N-(1-chloro-2-phenylpropan-2-yl)cyclopropanesulfonamide
CID 105060342
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-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 105060592
N-(1-chloro-2-phenylpropan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 105060270
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 105060587
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
1-chloro-N-[(2,6-dimethylphenyl)methyl]-2-phenylpropan-2-amine
CID 105059436
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide (CID 105060280) is N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)(CCl)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is CHRCWYWQBMXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-3-9-17(15,16)14-12(2,10-13)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide?
N-(1-chloro-2-phenylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 275.80 g/mol, XLogP of 2.47, 6 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)propane-1-sulfonamide is sourced from PubChem (CID 105060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).