N-(2-bromophenyl)pyrrolidine-1-sulfonamide

C10H13BrN2O2S — CID 28785182

IUPACN-(2-bromophenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)N1CCCC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-5-1-2-6-10(9)12-16(14,15)13-7-3-4-8-13/h1-2,5-6,12H,3-4,7-8H2
InChIKeySKZKXVWQIHWABR-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.20
Rot. Bonds3

About N-(2-bromophenyl)pyrrolidine-1-sulfonamide

N-(2-bromophenyl)pyrrolidine-1-sulfonamide (PubChem CID 28785182) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(2-bromophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)pyrrolidine-1-sulfonamide
PubChem CID28785182
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-(2-bromophenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)N1CCCC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-5-1-2-6-10(9)12-16(14,15)13-7-3-4-8-13/h1-2,5-6,12H,3-4,7-8H2
InChIKeySKZKXVWQIHWABR-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-bromophenyl)pyrrolidine-1-sulfonamide (CID 28785182) is N-(2-bromophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1ccccc1Br)N1CCCC1.
What is the InChIKey of N-(2-bromophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is SKZKXVWQIHWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-9-5-1-2-6-10(9)12-16(14,15)13-7-3-4-8-13/h1-2,5-6,12H,3-4,7-8H2.
What are the key properties of N-(2-bromophenyl)pyrrolidine-1-sulfonamide?
N-(2-bromophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 305.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 28785182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).