5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide

C18H23BrN2O2S2 — CID 36575399

IUPAC5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1)C1CCCCC1
InChIInChI=1S/C18H23BrN2O2S2/c1-21(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)20-25(22,23)18-12-11-17(19)24-18/h5-7,10-12,15,20H,2-4,8-9,13H2,1H3
InChIKeyGAFHCFPARWPQTE-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.08
Rot. Bonds6

About 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 36575399) has the molecular formula C18H23BrN2O2S2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID36575399
Molecular FormulaC18H23BrN2O2S2
Molecular Weight443.43 g/mol
Exact Mass442.04
IUPAC Name5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1)C1CCCCC1
InChIInChI=1S/C18H23BrN2O2S2/c1-21(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)20-25(22,23)18-12-11-17(19)24-18/h5-7,10-12,15,20H,2-4,8-9,13H2,1H3
InChIKeyGAFHCFPARWPQTE-UHFFFAOYSA-N
XLogP5.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide (CID 36575399) is 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide is CN(Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is GAFHCFPARWPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2S2/c1-21(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)20-25(22,23)18-12-11-17(19)24-18/h5-7,10-12,15,20H,2-4,8-9,13H2,1H3.
What are the key properties of 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 443.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 36575399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).