1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide

C19H16ClFN2O2S — CID 97014874

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16ClFN2O2S/c20-16-12-14(9-10-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2/t19-/m0/s1
InChIKeyPMSBSQODFQTEHI-IBGZPJMESA-N
MW390.87 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide (PubChem CID 97014874) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
PubChem CID97014874
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16ClFN2O2S/c20-16-12-14(9-10-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2/t19-/m0/s1
InChIKeyPMSBSQODFQTEHI-IBGZPJMESA-N
XLogP4.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 97078736
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide (CID 97014874) is 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The InChIKey is PMSBSQODFQTEHI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c20-16-12-14(9-10-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2/t19-/m0/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide has a molecular weight of 390.87 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 97014874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).