5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H19BrN2O2S — CID 60661463

IUPAC5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-11-4-5-12(14)10-13(11)19(17,18)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyVZNNKNAUWMMKFV-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.13
Rot. Bonds5

About 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 60661463) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID60661463
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-11-4-5-12(14)10-13(11)19(17,18)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyVZNNKNAUWMMKFV-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843314
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
methyl 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-methylbenzoate
CID 170563671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 60661463) is 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is VZNNKNAUWMMKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-11-4-5-12(14)10-13(11)19(17,18)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.13, 5 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-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60661463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).