4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C18H20FN3O3S — CID 119578076

IUPAC4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1
InChIInChI=1S/C18H20FN3O3S/c1-13-12-22(11-10-20-13)18(23)14-2-6-16(7-3-14)21-26(24,25)17-8-4-15(19)5-9-17/h2-9,13,20-21H,10-12H2,1H3
InChIKeyKDCUXKLZMQPQMZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.06
Rot. Bonds4

About 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 119578076) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID119578076
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1
InChIInChI=1S/C18H20FN3O3S/c1-13-12-22(11-10-20-13)18(23)14-2-6-16(7-3-14)21-26(24,25)17-8-4-15(19)5-9-17/h2-9,13,20-21H,10-12H2,1H3
InChIKeyKDCUXKLZMQPQMZ-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119580119
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
3,4-difluoro-N-[3-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 119579238
4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 119578076) is 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is CC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCN1.
What is the InChIKey of 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is KDCUXKLZMQPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-13-12-22(11-10-20-13)18(23)14-2-6-16(7-3-14)21-26(24,25)17-8-4-15(19)5-9-17/h2-9,13,20-21H,10-12H2,1H3.
What are the key properties of 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 119578076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).