N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

C18H18F2N2O3S — CID 109063341

IUPACN-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCCCC1
InChIInChI=1S/C18H18F2N2O3S/c19-16-8-7-14(12-17(16)20)21-26(24,25)15-6-4-5-13(11-15)18(23)22-9-2-1-3-10-22/h4-8,11-12,21H,1-3,9-10H2
InChIKeyWSGHRXKLFVRLLB-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063341) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063341
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCCCC1
InChIInChI=1S/C18H18F2N2O3S/c19-16-8-7-14(12-17(16)20)21-26(24,25)15-6-4-5-13(11-15)18(23)22-9-2-1-3-10-22/h4-8,11-12,21H,1-3,9-10H2
InChIKeyWSGHRXKLFVRLLB-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 119375503
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 109063341) is N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1)N1CCCCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WSGHRXKLFVRLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-16-8-7-14(12-17(16)20)21-26(24,25)15-6-4-5-13(11-15)18(23)22-9-2-1-3-10-22/h4-8,11-12,21H,1-3,9-10H2.
What are the key properties of N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).