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

C12H18BrNO3S2 — CID 65121729

IUPAC3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C12H18BrNO3S2/c1-9-2-5-12(15,6-3-9)8-14-19(16,17)11-10(13)4-7-18-11/h4,7,9,14-15H,2-3,5-6,8H2,1H3
InChIKeyFLIQIYKOZFIDIU-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.73
Rot. Bonds4

About 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide

3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide (PubChem CID 65121729) has the molecular formula C12H18BrNO3S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
PubChem CID65121729
Molecular FormulaC12H18BrNO3S2
Molecular Weight368.32 g/mol
Exact Mass366.99
IUPAC Name3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C12H18BrNO3S2/c1-9-2-5-12(15,6-3-9)8-14-19(16,17)11-10(13)4-7-18-11/h4,7,9,14-15H,2-3,5-6,8H2,1H3
InChIKeyFLIQIYKOZFIDIU-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

3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121440
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 113400598
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide (CID 65121729) is 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide is CC1CCC(O)(CNS(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
The InChIKey is FLIQIYKOZFIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S2/c1-9-2-5-12(15,6-3-9)8-14-19(16,17)11-10(13)4-7-18-11/h4,7,9,14-15H,2-3,5-6,8H2,1H3.
What are the key properties of 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide?
3-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 3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65121729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).