1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide

C16H18ClNO2S — CID 133229252

IUPAC1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyQTNNQTFBQHBHAD-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide

1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide (PubChem CID 133229252) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
PubChem CID133229252
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyQTNNQTFBQHBHAD-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133235825
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide (CID 133229252) is 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The InChIKey is QTNNQTFBQHBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 133229252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).