2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

C15H23BrN2O2S — CID 60731580

IUPAC2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeyIAJULAGXYVMDMF-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.91
Rot. Bonds6

About 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 60731580) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID60731580
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11H2,1H3
InChIKeyIAJULAGXYVMDMF-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (CID 60731580) is 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is IAJULAGXYVMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11H2,1H3.
What are the key properties of 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 60731580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).