N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide

C11H13BrF2N2O2S — CID 155193788

IUPACN-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1F)C1CCCNC1
InChIInChI=1S/C11H13BrF2N2O2S/c12-10-8(13)3-4-9(11(10)14)16-19(17,18)7-2-1-5-15-6-7/h3-4,7,15-16H,1-2,5-6H2
InChIKeyKQHGSHAIXCMRKL-UHFFFAOYSA-N
MW355.20 g/mol
LogP2.22
Rot. Bonds3

About N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide

N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide (PubChem CID 155193788) has the molecular formula C11H13BrF2N2O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
PubChem CID155193788
Molecular FormulaC11H13BrF2N2O2S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC NameN-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1F)C1CCCNC1
InChIInChI=1S/C11H13BrF2N2O2S/c12-10-8(13)3-4-9(11(10)14)16-19(17,18)7-2-1-5-15-6-7/h3-4,7,15-16H,1-2,5-6H2
InChIKeyKQHGSHAIXCMRKL-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
N-(2-methoxyphenyl)piperidine-3-sulfonamide
CID 24690815
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide
CID 65481470
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
CID 103415161

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide (CID 155193788) is N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(Br)c1F)C1CCCNC1.
What is the InChIKey of N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide?
The InChIKey is KQHGSHAIXCMRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S/c12-10-8(13)3-4-9(11(10)14)16-19(17,18)7-2-1-5-15-6-7/h3-4,7,15-16H,1-2,5-6H2.
What are the key properties of N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide?
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide has a molecular weight of 355.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 155193788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).