N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

C17H18ClNO3S — CID 8751478

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyPNTMFQGQSPNPJK-GFCCVEGCSA-N
MW351.86 g/mol
LogP3.38
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 8751478) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID8751478
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyPNTMFQGQSPNPJK-GFCCVEGCSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 8751478) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is PNTMFQGQSPNPJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-23(2,21)22/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).