2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide

C18H18ClFN2O3S — CID 24539688

IUPAC2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCC1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-9-4-13(18(23)22-10-2-1-3-11-22)12-17(16)26(24,25)21-15-7-5-14(20)6-8-15/h4-9,12,21H,1-3,10-11H2
InChIKeyLNTDUSJKRCSMLC-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide

2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 24539688) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID24539688
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCC1
InChIInChI=1S/C18H18ClFN2O3S/c19-16-9-4-13(18(23)22-10-2-1-3-11-22)12-17(16)26(24,25)21-15-7-5-14(20)6-8-15/h4-9,12,21H,1-3,10-11H2
InChIKeyLNTDUSJKRCSMLC-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43009939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 24539688) is 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCC1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LNTDUSJKRCSMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-16-9-4-13(18(23)22-10-2-1-3-11-22)12-17(16)26(24,25)21-15-7-5-14(20)6-8-15/h4-9,12,21H,1-3,10-11H2.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 396.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 24539688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).