5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide

C16H25BrN2O2S — CID 60553034

IUPAC5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2C)CC1
InChIInChI=1S/C16H25BrN2O2S/c1-3-4-9-19-10-7-15(8-11-19)18-22(20,21)16-12-14(17)6-5-13(16)2/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyHXZLMEGUSZWQII-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.30
Rot. Bonds6

About 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide

5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide (PubChem CID 60553034) has the molecular formula C16H25BrN2O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
PubChem CID60553034
Molecular FormulaC16H25BrN2O2S
Molecular Weight389.36 g/mol
Exact Mass388.08
IUPAC Name5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2C)CC1
InChIInChI=1S/C16H25BrN2O2S/c1-3-4-9-19-10-7-15(8-11-19)18-22(20,21)16-12-14(17)6-5-13(16)2/h5-6,12,15,18H,3-4,7-11H2,1-2H3
InChIKeyHXZLMEGUSZWQII-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 60660673
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275807
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide (CID 60553034) is 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide is CCCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2C)CC1.
What is the InChIKey of 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is HXZLMEGUSZWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2S/c1-3-4-9-19-10-7-15(8-11-19)18-22(20,21)16-12-14(17)6-5-13(16)2/h5-6,12,15,18H,3-4,7-11H2,1-2H3.
What are the key properties of 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide?
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 389.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60553034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).