5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide

C14H21BrN2O2S — CID 61170995

IUPAC5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(Br)ccc2C)C1
InChIInChI=1S/C14H21BrN2O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-9-12(15)7-6-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyHCKGNDFUJBOIAU-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.52
Rot. Bonds4

About 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide

5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide (PubChem CID 61170995) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
PubChem CID61170995
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(Br)ccc2C)C1
InChIInChI=1S/C14H21BrN2O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-9-12(15)7-6-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyHCKGNDFUJBOIAU-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 60660673
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide (CID 61170995) is 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2cc(Br)ccc2C)C1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is HCKGNDFUJBOIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-3-17-8-4-5-13(10-17)16-20(18,19)14-9-12(15)7-6-11(14)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3.
What are the key properties of 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide?
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61170995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).