4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C17H17BrN2O3S — CID 1245474

IUPAC4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C17H17BrN2O3S/c18-13-7-9-14(10-8-13)24(22,23)19-16-6-2-1-5-15(16)17(21)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-12H2
InChIKeyWZHWJXZAJNXSGX-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1245474) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1245474
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C17H17BrN2O3S/c18-13-7-9-14(10-8-13)24(22,23)19-16-6-2-1-5-15(16)17(21)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-12H2
InChIKeyWZHWJXZAJNXSGX-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1245474) is 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is WZHWJXZAJNXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-13-7-9-14(10-8-13)24(22,23)19-16-6-2-1-5-15(16)17(21)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-12H2.
What are the key properties of 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 409.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1245474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).