N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide

C20H19FN2O4S2 — CID 40903729

IUPACN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O4S2/c1-15-12-18(9-10-19(15)21)29(26,27)23-14-20(16-6-5-11-22-13-16)28(24,25)17-7-3-2-4-8-17/h2-13,20,23H,14H2,1H3/t20-/m0/s1
InChIKeyDTWICTADQYZFFX-FQEVSTJZSA-N
MW434.51 g/mol
LogP3.02
Rot. Bonds7

About N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 40903729) has the molecular formula C20H19FN2O4S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID40903729
Molecular FormulaC20H19FN2O4S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O4S2/c1-15-12-18(9-10-19(15)21)29(26,27)23-14-20(16-6-5-11-22-13-16)28(24,25)17-7-3-2-4-8-17/h2-13,20,23H,14H2,1H3/t20-/m0/s1
InChIKeyDTWICTADQYZFFX-FQEVSTJZSA-N
XLogP3.02
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 20996520
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996538
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 21007728
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
CID 21007633

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide (CID 40903729) is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is DTWICTADQYZFFX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19FN2O4S2/c1-15-12-18(9-10-19(15)21)29(26,27)23-14-20(16-6-5-11-22-13-16)28(24,25)17-7-3-2-4-8-17/h2-13,20,23H,14H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 40903729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).