2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H16Br2N2O2S — CID 61059343

IUPAC2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2S/c13-10-3-4-12(11(14)9-10)19(17,18)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2
InChIKeyUUAYFDCBTIJTBU-UHFFFAOYSA-N
MW412.15 g/mol
LogP2.59
Rot. Bonds5

About 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 61059343) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID61059343
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC Name2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2S/c13-10-3-4-12(11(14)9-10)19(17,18)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2
InChIKeyUUAYFDCBTIJTBU-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
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
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 61059343) is 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is UUAYFDCBTIJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c13-10-3-4-12(11(14)9-10)19(17,18)15-5-8-16-6-1-2-7-16/h3-4,9,15H,1-2,5-8H2.
What are the key properties of 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 412.15 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61059343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).