N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 61454204

IUPACN-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2N)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-3-10-4-5-12(19-10)20(17,18)16-13-8(2)6-9(14)7-11(13)15/h4-7,16H,3,15H2,1-2H3
InChIKeyIEAQXFAQSHFJDV-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.76
Rot. Bonds4

About N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide

N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 61454204) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID61454204
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2N)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-3-10-4-5-12(19-10)20(17,18)16-13-8(2)6-9(14)7-11(13)15/h4-7,16H,3,15H2,1-2H3
InChIKeyIEAQXFAQSHFJDV-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide (CID 61454204) is N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2N)s1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is IEAQXFAQSHFJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-3-10-4-5-12(19-10)20(17,18)16-13-8(2)6-9(14)7-11(13)15/h4-7,16H,3,15H2,1-2H3.
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide?
N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).