4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide

C18H19FN2O4S2 — CID 56571751

IUPAC4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCS(=O)CC1
InChIInChI=1S/C18H19FN2O4S2/c19-15-3-7-17(8-4-15)27(24,25)20-16-5-1-14(2-6-16)13-18(22)21-9-11-26(23)12-10-21/h1-8,20H,9-13H2
InChIKeyQRDIHAKJDPCTFY-UHFFFAOYSA-N
MW410.49 g/mol
LogP1.76
Rot. Bonds5

About 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 56571751) has the molecular formula C18H19FN2O4S2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID56571751
Molecular FormulaC18H19FN2O4S2
Molecular Weight410.49 g/mol
Exact Mass410.08
IUPAC Name4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCS(=O)CC1
InChIInChI=1S/C18H19FN2O4S2/c19-15-3-7-17(8-4-15)27(24,25)20-16-5-1-14(2-6-16)13-18(22)21-9-11-26(23)12-10-21/h1-8,20H,9-13H2
InChIKeyQRDIHAKJDPCTFY-UHFFFAOYSA-N
XLogP1.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
5-bromo-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]furan-2-carboxamide
CID 56543760
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide (CID 56571751) is 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCS(=O)CC1.
What is the InChIKey of 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is QRDIHAKJDPCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S2/c19-15-3-7-17(8-4-15)27(24,25)20-16-5-1-14(2-6-16)13-18(22)21-9-11-26(23)12-10-21/h1-8,20H,9-13H2.
What are the key properties of 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 410.49 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 56571751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).