N-(2-chloropropyl)-1-phenylmethanesulfonamide

C10H14ClNO2S — CID 65033175

IUPACN-(2-chloropropyl)-1-phenylmethanesulfonamide
SMILESCC(Cl)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H14ClNO2S/c1-9(11)7-12-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyIFVRXNLGMHODNB-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.73
Rot. Bonds5

About N-(2-chloropropyl)-1-phenylmethanesulfonamide

N-(2-chloropropyl)-1-phenylmethanesulfonamide (PubChem CID 65033175) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-(2-chloropropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1-phenylmethanesulfonamide
PubChem CID65033175
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-(2-chloropropyl)-1-phenylmethanesulfonamide
SMILESCC(Cl)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H14ClNO2S/c1-9(11)7-12-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyIFVRXNLGMHODNB-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.73
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-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
CID 114294608
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-iodo-1-phenylmethanesulfonamide
CID 88874569

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-chloropropyl)-1-phenylmethanesulfonamide (CID 65033175) is N-(2-chloropropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-chloropropyl)-1-phenylmethanesulfonamide is CC(Cl)CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-chloropropyl)-1-phenylmethanesulfonamide?
The InChIKey is IFVRXNLGMHODNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-9(11)7-12-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of N-(2-chloropropyl)-1-phenylmethanesulfonamide?
N-(2-chloropropyl)-1-phenylmethanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 65033175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).