2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H20Br2N2O2S — CID 106608617

IUPAC2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-2-8-18(10-12-4-3-7-17-12)21(19,20)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyYYEDEAAGWKJPCD-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.36
Rot. Bonds6

About 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106608617) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106608617
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-2-8-18(10-12-4-3-7-17-12)21(19,20)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyYYEDEAAGWKJPCD-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106608617) is 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCCN(CC1CCCN1)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is YYEDEAAGWKJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-2-8-18(10-12-4-3-7-17-12)21(19,20)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106608617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).