5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide

C15H18BrNO2S2 — CID 4584867

IUPAC5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C15H18BrNO2S2/c1-3-4-5-12-6-7-13(11(2)10-12)17-21(18,19)15-9-8-14(16)20-15/h6-10,17H,3-5H2,1-2H3
InChIKeySHMHZRGBAJEDDK-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.96
Rot. Bonds6

About 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide

5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 4584867) has the molecular formula C15H18BrNO2S2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide
PubChem CID4584867
Molecular FormulaC15H18BrNO2S2
Molecular Weight388.35 g/mol
Exact Mass387.00
IUPAC Name5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C15H18BrNO2S2/c1-3-4-5-12-6-7-13(11(2)10-12)17-21(18,19)15-9-8-14(16)20-15/h6-10,17H,3-5H2,1-2H3
InChIKeySHMHZRGBAJEDDK-UHFFFAOYSA-N
XLogP4.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide (CID 4584867) is 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C)c1.
What is the InChIKey of 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is SHMHZRGBAJEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S2/c1-3-4-5-12-6-7-13(11(2)10-12)17-21(18,19)15-9-8-14(16)20-15/h6-10,17H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 388.35 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4584867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).