N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide

C23H23FN2O4S2 — CID 164684294

IUPACN-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide
SMILESCC(C)/C(=C(/F)CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C23H23FN2O4S2/c1-18(2)23(19-10-9-15-25-16-19)22(24)17-26(31(27,28)20-11-5-3-6-12-20)32(29,30)21-13-7-4-8-14-21/h3-16,18H,17H2,1-2H3/b23-22-
InChIKeyRHYDHCZVUVQSFF-FCQUAONHSA-N
MW474.58 g/mol
LogP4.50
Rot. Bonds8

About N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide (PubChem CID 164684294) has the molecular formula C23H23FN2O4S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide
PubChem CID164684294
Molecular FormulaC23H23FN2O4S2
Molecular Weight474.58 g/mol
Exact Mass474.11
IUPAC NameN-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide
SMILESCC(C)/C(=C(/F)CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C23H23FN2O4S2/c1-18(2)23(19-10-9-15-25-16-19)22(24)17-26(31(27,28)20-11-5-3-6-12-20)32(29,30)21-13-7-4-8-14-21/h3-16,18H,17H2,1-2H3/b23-22-
InChIKeyRHYDHCZVUVQSFF-FCQUAONHSA-N
XLogP4.50
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Vonoprazan
CID 15981397
1-Tosylpyrrole
CID 640087
trans-(1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 9823280
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide (CID 164684294) is N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide is CC(C)/C(=C(/F)CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide?
The InChIKey is RHYDHCZVUVQSFF-FCQUAONHSA-N. The full InChI is InChI=1S/C23H23FN2O4S2/c1-18(2)23(19-10-9-15-25-16-19)22(24)17-26(31(27,28)20-11-5-3-6-12-20)32(29,30)21-13-7-4-8-14-21/h3-16,18H,17H2,1-2H3/b23-22-.
What are the key properties of N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(Z)-2-fluoro-4-methyl-3-pyridin-3-ylpent-2-enyl]benzenesulfonamide is sourced from PubChem (CID 164684294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).