1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide

C16H18ClNO2S — CID 92685740

IUPAC1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12H2,1H3/t16-/m1/s1
InChIKeyPSUBNQUFPHVFCU-MRXNPFEDSA-N
MW323.85 g/mol
LogP3.91
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide

1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide (PubChem CID 92685740) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
PubChem CID92685740
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12H2,1H3/t16-/m1/s1
InChIKeyPSUBNQUFPHVFCU-MRXNPFEDSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
CID 92646992
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide (CID 92685740) is 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide is CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide?
The InChIKey is PSUBNQUFPHVFCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12H2,1H3/t16-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 92685740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).