N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide

C17H11ClFN3O4S — CID 58138428

IUPACN-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F)c1ccccc1
InChIInChI=1S/C17H11ClFN3O4S/c18-12-6-8-13(9-7-12)27(25,26)22-10-14(19)15(21-17(22)24)20-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23,24)
InChIKeyUKDMRDDBLDZWJA-UHFFFAOYSA-N
MW407.81 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide

N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide (PubChem CID 58138428) has the molecular formula C17H11ClFN3O4S and a molecular weight of 407.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
PubChem CID58138428
Molecular FormulaC17H11ClFN3O4S
Molecular Weight407.81 g/mol
Exact Mass407.01
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F)c1ccccc1
InChIInChI=1S/C17H11ClFN3O4S/c18-12-6-8-13(9-7-12)27(25,26)22-10-14(19)15(21-17(22)24)20-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23,24)
InChIKeyUKDMRDDBLDZWJA-UHFFFAOYSA-N
XLogP2.53
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155522485
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 58138421
4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 66972080
N-(1-benzenesulfonyl-5-fluoro-2-oxo-1,2-dihydro-pyrimidin-4-yl)-benzamide
CID 66973544
4-chloro-1-N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzene-1,2-dicarboxamide
CID 66973631
4-chloro-N-[1-(4-chlorobenzenesulfonyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]benzamide
CID 66973638
N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
CID 69482627
3-chloro-N-[8-chloro-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69483191
4-chloro-N-[6-[2-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69483201
N-[1-[(4-chlorophenyl)-methylidene-oxo-lambda6-sulfanyl]-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 88980218
N-[1-(4-chlorophenyl)sulfanyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 123519902
N-[1-(4-chlorophenyl)sulfinyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 124031158

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide (CID 58138428) is N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide is O=C(Nc1nc(=O)n(S(=O)(=O)c2ccc(Cl)cc2)cc1F)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is UKDMRDDBLDZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O4S/c18-12-6-8-13(9-7-12)27(25,26)22-10-14(19)15(21-17(22)24)20-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23,24).
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 407.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 58138428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).