N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

C17H17ClFN3O3S — CID 27868228

IUPACN-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17ClFN3O3S/c18-13-4-6-15(7-5-13)20-17(23)21-8-10-22(11-9-21)26(24,25)16-3-1-2-14(19)12-16/h1-7,12H,8-11H2,(H,20,23)
InChIKeyPMQXKHLRFZAZPW-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.02
Rot. Bonds3

About N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 27868228) has the molecular formula C17H17ClFN3O3S and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID27868228
Molecular FormulaC17H17ClFN3O3S
Molecular Weight397.86 g/mol
Exact Mass397.07
IUPAC NameN-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17ClFN3O3S/c18-13-4-6-15(7-5-13)20-17(23)21-8-10-22(11-9-21)26(24,25)16-3-1-2-14(19)12-16/h1-7,12H,8-11H2,(H,20,23)
InChIKeyPMQXKHLRFZAZPW-UHFFFAOYSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 42934750
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
2-(4-chlorophenyl)sulfanyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 18164606
2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 22831097
4-chloro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 17427990
4-(benzenesulfonyl)-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
CID 17249913
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8681189
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 27868228) is N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is PMQXKHLRFZAZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3S/c18-13-4-6-15(7-5-13)20-17(23)21-8-10-22(11-9-21)26(24,25)16-3-1-2-14(19)12-16/h1-7,12H,8-11H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 27868228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).