1-chloro-N-(2-phenylpropyl)methanesulfonamide

C10H14ClNO2S — CID 63665326

IUPAC1-chloro-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CCl)c1ccccc1
InChIInChI=1S/C10H14ClNO2S/c1-9(7-12-15(13,14)8-11)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyKYLUSVAFVAGEKS-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.91
Rot. Bonds5

About 1-chloro-N-(2-phenylpropyl)methanesulfonamide

1-chloro-N-(2-phenylpropyl)methanesulfonamide (PubChem CID 63665326) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-chloro-N-(2-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-phenylpropyl)methanesulfonamide
PubChem CID63665326
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-chloro-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CCl)c1ccccc1
InChIInChI=1S/C10H14ClNO2S/c1-9(7-12-15(13,14)8-11)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyKYLUSVAFVAGEKS-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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-(2-phenylpropyl)methanesulfonamide
CID 47121755
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-phenylpropyl)methanesulfonamide (CID 63665326) is 1-chloro-N-(2-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-phenylpropyl)methanesulfonamide is CC(CNS(=O)(=O)CCl)c1ccccc1.
What is the InChIKey of 1-chloro-N-(2-phenylpropyl)methanesulfonamide?
The InChIKey is KYLUSVAFVAGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-9(7-12-15(13,14)8-11)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 1-chloro-N-(2-phenylpropyl)methanesulfonamide?
1-chloro-N-(2-phenylpropyl)methanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 63665326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).