N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide

C11H16ClNO2S — CID 80688482

IUPACN-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(CCl)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-10(9-12)13-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyNSBBZZYOPYREQE-UHFFFAOYSA-N
MW261.77 g/mol
LogP1.78
Rot. Bonds6

About N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide

N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide (PubChem CID 80688482) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
PubChem CID80688482
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
SMILESCC(CCl)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-10(9-12)13-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyNSBBZZYOPYREQE-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.78
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

2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
CID 95617417
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 103697877
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
3-chloro-2-methyl-N-(2-phenylethyl)propane-1-sulfonamide
CID 79585541
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenylethanesulfonamide
CID 103912589
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide (CID 80688482) is N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide is CC(CCl)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide?
The InChIKey is NSBBZZYOPYREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-10(9-12)13-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide?
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 80688482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).