4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H16BrNO2S2 — CID 3736406

IUPAC4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H16BrNO2S2/c1-2-11-10-12(15)5-6-14(11)20(17,18)16-8-7-13-4-3-9-19-13/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyNRPFUPKSYBIUIT-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.59
Rot. Bonds6

About 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3736406) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3736406
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C14H16BrNO2S2/c1-2-11-10-12(15)5-6-14(11)20(17,18)16-8-7-13-4-3-9-19-13/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyNRPFUPKSYBIUIT-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 3736406) is 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NRPFUPKSYBIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-2-11-10-12(15)5-6-14(11)20(17,18)16-8-7-13-4-3-9-19-13/h3-6,9-10,16H,2,7-8H2,1H3.
What are the key properties of 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 374.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3736406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).