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

C11H15BrClN3O2S — CID 55154040

IUPAC3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1
InChIInChI=1S/C11H15BrClN3O2S/c1-16-3-2-8(6-16)15-19(17,18)10-5-7(13)4-9(14)11(10)12/h4-5,8,15H,2-3,6,14H2,1H3
InChIKeyBQRHXBZXFCJFJR-UHFFFAOYSA-N
MW368.68 g/mol
LogP1.67
Rot. Bonds3

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

3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 55154040) has the molecular formula C11H15BrClN3O2S and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID55154040
Molecular FormulaC11H15BrClN3O2S
Molecular Weight368.68 g/mol
Exact Mass366.98
IUPAC Name3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1
InChIInChI=1S/C11H15BrClN3O2S/c1-16-3-2-8(6-16)15-19(17,18)10-5-7(13)4-9(14)11(10)12/h4-5,8,15H,2-3,6,14H2,1H3
InChIKeyBQRHXBZXFCJFJR-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 55154040) is 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is BQRHXBZXFCJFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O2S/c1-16-3-2-8(6-16)15-19(17,18)10-5-7(13)4-9(14)11(10)12/h4-5,8,15H,2-3,6,14H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 55154040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).