4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide

C15H23BrN2O2S — CID 79701262

IUPAC4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCNCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-12(2)18(11-13-7-9-17-10-8-13)21(19,20)15-5-3-14(16)4-6-15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyAWFVMXAYQIPQHT-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.85
Rot. Bonds5

About 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide

4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 79701262) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID79701262
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CCNCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-12(2)18(11-13-7-9-17-10-8-13)21(19,20)15-5-3-14(16)4-6-15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyAWFVMXAYQIPQHT-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791532
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-sulfonamide
CID 79717482
4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide
CID 50788681
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 62924163
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 82842964
4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
CID 79705469
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
3-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791530

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide (CID 79701262) is 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CCNCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AWFVMXAYQIPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-12(2)18(11-13-7-9-17-10-8-13)21(19,20)15-5-3-14(16)4-6-15/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide?
4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 79701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).