2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

C11H16BrN3O2S — CID 54950213

IUPAC2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C11H16BrN3O2S/c1-15-5-4-9(7-15)14-18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7,13H2,1H3
InChIKeyVKUOBZWLTYCPQK-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.01
Rot. Bonds3

About 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 54950213) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID54950213
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C11H16BrN3O2S/c1-15-5-4-9(7-15)14-18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7,13H2,1H3
InChIKeyVKUOBZWLTYCPQK-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
3-amino-5-bromo-2-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 114379259
2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61462084
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
5-bromo-N-(1-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 61016123
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
3-amino-N-(1-methylpyrrolidin-3-yl)-4-nitrobenzenesulfonamide
CID 82845629
3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
3-amino-4-fluoro-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 115421440

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 54950213) is 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(Br)ccc2N)C1.
What is the InChIKey of 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is VKUOBZWLTYCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-15-5-4-9(7-15)14-18(16,17)11-6-8(12)2-3-10(11)13/h2-3,6,9,14H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 54950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).