5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

C15H23BrN2O2S — CID 60660673

IUPAC5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-11(2)18-8-6-14(7-9-18)17-21(19,20)15-10-13(16)5-4-12(15)3/h4-5,10-11,14,17H,6-9H2,1-3H3
InChIKeyAFEKNQBLGOAAGA-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 60660673) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID60660673
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-11(2)18-8-6-14(7-9-18)17-21(19,20)15-10-13(16)5-4-12(15)3/h4-5,10-11,14,17H,6-9H2,1-3H3
InChIKeyAFEKNQBLGOAAGA-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 61061159
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (CID 60660673) is 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is AFEKNQBLGOAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-11(2)18-8-6-14(7-9-18)17-21(19,20)15-10-13(16)5-4-12(15)3/h4-5,10-11,14,17H,6-9H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 60660673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).