N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide

C12H16Br2N2O3S — CID 103415161

IUPACN-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CCCNC2)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-12-6-11(9(13)5-10(12)14)16-20(17,18)8-3-2-4-15-7-8/h5-6,8,15-16H,2-4,7H2,1H3
InChIKeyJQPDZCJYQKUGNC-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.71
Rot. Bonds4

About N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide

N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide (PubChem CID 103415161) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
PubChem CID103415161
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CCCNC2)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-19-12-6-11(9(13)5-10(12)14)16-20(17,18)8-3-2-4-15-7-8/h5-6,8,15-16H,2-4,7H2,1H3
InChIKeyJQPDZCJYQKUGNC-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)piperidine-3-sulfonamide
CID 24690815
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422631
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
CID 155193788
N-(5-bromo-4-methyl-2-pyridinyl)piperidine-3-sulfonamide
CID 79730057
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
CID 112739564
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide (CID 103415161) is N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide is COc1cc(NS(=O)(=O)C2CCCNC2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide?
The InChIKey is JQPDZCJYQKUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-19-12-6-11(9(13)5-10(12)14)16-20(17,18)8-3-2-4-15-7-8/h5-6,8,15-16H,2-4,7H2,1H3.
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide?
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide has a molecular weight of 428.15 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 103415161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).