3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

C14H16BrNO2S2 — CID 61062149

IUPAC3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H16BrNO2S2/c1-3-16(10-12-6-4-5-11(2)9-12)20(17,18)14-13(15)7-8-19-14/h4-9H,3,10H2,1-2H3
InChIKeyTWLNGODCMVGKCU-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.03
Rot. Bonds5

About 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 61062149) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID61062149
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H16BrNO2S2/c1-3-16(10-12-6-4-5-11(2)9-12)20(17,18)14-13(15)7-8-19-14/h4-9H,3,10H2,1-2H3
InChIKeyTWLNGODCMVGKCU-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (CID 61062149) is 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is CCN(Cc1cccc(C)c1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is TWLNGODCMVGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-3-16(10-12-6-4-5-11(2)9-12)20(17,18)14-13(15)7-8-19-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).