N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide

C22H23FN2O5S2 — CID 21007728

IUPACN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2C)c2cccnc2)cc1
InChIInChI=1S/C22H23FN2O5S2/c1-3-30-19-7-9-20(10-8-19)31(26,27)22(17-5-4-12-24-14-17)15-25-32(28,29)21-11-6-18(23)13-16(21)2/h4-14,22,25H,3,15H2,1-2H3
InChIKeyQXDILNRACPSZGP-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.42
Rot. Bonds9

About N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 21007728) has the molecular formula C22H23FN2O5S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID21007728
Molecular FormulaC22H23FN2O5S2
Molecular Weight478.57 g/mol
Exact Mass478.10
IUPAC NameN-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2C)c2cccnc2)cc1
InChIInChI=1S/C22H23FN2O5S2/c1-3-30-19-7-9-20(10-8-19)31(26,27)22(17-5-4-12-24-14-17)15-25-32(28,29)21-11-6-18(23)13-16(21)2/h4-14,22,25H,3,15H2,1-2H3
InChIKeyQXDILNRACPSZGP-UHFFFAOYSA-N
XLogP3.42
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 21007749
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
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 40903729
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 21007747
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 40904368
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
1-cyclohexyl-3-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]urea
CID 21007706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 21007728) is N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2C)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QXDILNRACPSZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S2/c1-3-30-19-7-9-20(10-8-19)31(26,27)22(17-5-4-12-24-14-17)15-25-32(28,29)21-11-6-18(23)13-16(21)2/h4-14,22,25H,3,15H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 478.57 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 21007728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).