4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide

C23H29FN4O3S — CID 46333184

IUPAC4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H29FN4O3S/c1-17-3-2-12-28(16-17)23(29)18-4-9-22(27-13-10-25-11-14-27)21(15-18)26-32(30,31)20-7-5-19(24)6-8-20/h4-9,15,17,25-26H,2-3,10-14,16H2,1H3
InChIKeyNSWAEWGDLYQXCN-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.91
Rot. Bonds5

About 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide

4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide (PubChem CID 46333184) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
PubChem CID46333184
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H29FN4O3S/c1-17-3-2-12-28(16-17)23(29)18-4-9-22(27-13-10-25-11-14-27)21(15-18)26-32(30,31)20-7-5-19(24)6-8-20/h4-9,15,17,25-26H,2-3,10-14,16H2,1H3
InChIKeyNSWAEWGDLYQXCN-UHFFFAOYSA-N
XLogP2.91
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
CID 92872204
4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061537
4-methyl-N-[5-(4-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058991
4-bromo-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333177
4-chloro-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058952
N-[5-(azepane-1-carbonyl)-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146059195
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2,4-dimethyl-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 46333360
3-[(3-fluorophenyl)sulfonylamino]-4-[(3S)-3-methylpiperidin-1-yl]benzoic acid
CID 92866738
3-[(3-fluorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292372
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide (CID 46333184) is 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide is CC1CCCN(C(=O)c2ccc(N3CCNCC3)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1.
What is the InChIKey of 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide?
The InChIKey is NSWAEWGDLYQXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-17-3-2-12-28(16-17)23(29)18-4-9-22(27-13-10-25-11-14-27)21(15-18)26-32(30,31)20-7-5-19(24)6-8-20/h4-9,15,17,25-26H,2-3,10-14,16H2,1H3.
What are the key properties of 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide?
4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide has a molecular weight of 460.58 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(3-methylpiperidine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 46333184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).