1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide

C16H17Cl2NO2S — CID 99115120

IUPAC1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
SMILESC[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2S/c1-12(14-5-3-2-4-6-14)10-19-22(20,21)11-13-7-8-15(17)16(18)9-13/h2-9,12,19H,10-11H2,1H3/t12-/m0/s1
InChIKeyLSEBNFCXOHZJGK-LBPRGKRZSA-N
MW358.29 g/mol
LogP4.22
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide (PubChem CID 99115120) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
PubChem CID99115120
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
SMILESC[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl2NO2S/c1-12(14-5-3-2-4-6-14)10-19-22(20,21)11-13-7-8-15(17)16(18)9-13/h2-9,12,19H,10-11H2,1H3/t12-/m0/s1
InChIKeyLSEBNFCXOHZJGK-LBPRGKRZSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133235825
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133164298
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide (CID 99115120) is 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide is C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide?
The InChIKey is LSEBNFCXOHZJGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-12(14-5-3-2-4-6-14)10-19-22(20,21)11-13-7-8-15(17)16(18)9-13/h2-9,12,19H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 99115120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).