5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide

C12H18BrNO3S2 — CID 65121440

IUPAC5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNO3S2/c1-9-4-6-12(15,7-5-9)8-14-19(16,17)11-3-2-10(13)18-11/h2-3,9,14-15H,4-8H2,1H3
InChIKeyILUFEJZUQYSBRS-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.73
Rot. Bonds4

About 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide (PubChem CID 65121440) has the molecular formula C12H18BrNO3S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
PubChem CID65121440
Molecular FormulaC12H18BrNO3S2
Molecular Weight368.32 g/mol
Exact Mass366.99
IUPAC Name5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNO3S2/c1-9-4-6-12(15,7-5-9)8-14-19(16,17)11-3-2-10(13)18-11/h2-3,9,14-15H,4-8H2,1H3
InChIKeyILUFEJZUQYSBRS-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121302
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide (CID 65121440) is 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide is CC1CCC(O)(CNS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ILUFEJZUQYSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S2/c1-9-4-6-12(15,7-5-9)8-14-19(16,17)11-3-2-10(13)18-11/h2-3,9,14-15H,4-8H2,1H3.
What are the key properties of 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide has a molecular weight of 368.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65121440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).