1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

C23H25FN2O4S2 — CID 40904368

IUPAC1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)c2cccnc2)cc1
InChIInChI=1S/C23H25FN2O4S2/c1-17(2)19-7-11-22(12-8-19)32(29,30)23(20-4-3-13-25-14-20)15-26-31(27,28)16-18-5-9-21(24)10-6-18/h3-14,17,23,26H,15-16H2,1-2H3/t23-/m0/s1
InChIKeyLTCJATKEDDEBFZ-QHCPKHFHSA-N
MW476.60 g/mol
LogP3.98
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (PubChem CID 40904368) has the molecular formula C23H25FN2O4S2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
PubChem CID40904368
Molecular FormulaC23H25FN2O4S2
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)c2cccnc2)cc1
InChIInChI=1S/C23H25FN2O4S2/c1-17(2)19-7-11-22(12-8-19)32(29,30)23(20-4-3-13-25-14-20)15-26-31(27,28)16-18-5-9-21(24)10-6-18/h3-14,17,23,26H,15-16H2,1-2H3/t23-/m0/s1
InChIKeyLTCJATKEDDEBFZ-QHCPKHFHSA-N
XLogP3.98
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9157756
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 20996520
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (CID 40904368) is 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is CC(C)c1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)c2cccnc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The InChIKey is LTCJATKEDDEBFZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25FN2O4S2/c1-17(2)19-7-11-22(12-8-19)32(29,30)23(20-4-3-13-25-14-20)15-26-31(27,28)16-18-5-9-21(24)10-6-18/h3-14,17,23,26H,15-16H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 40904368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).