5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H21BrN2O3S — CID 9209537

IUPAC5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-2-20-13-6-5-12(15)11-14(13)21(18,19)16-7-10-17-8-3-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyNLPAOWKONCCPLO-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.22
Rot. Bonds7

About 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 9209537) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID9209537
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-2-20-13-6-5-12(15)11-14(13)21(18,19)16-7-10-17-8-3-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyNLPAOWKONCCPLO-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 9209537) is 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is NLPAOWKONCCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-2-20-13-6-5-12(15)11-14(13)21(18,19)16-7-10-17-8-3-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 9209537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).