5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide

C12H18BrNO3S2 — CID 79988854

IUPAC5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCC2O)sc1Br
InChIInChI=1S/C12H18BrNO3S2/c1-8-6-11(18-12(8)13)19(16,17)14-7-9-4-2-3-5-10(9)15/h6,9-10,14-15H,2-5,7H2,1H3
InChIKeyMBCJRIATNFURQF-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79988854) has the molecular formula C12H18BrNO3S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
PubChem CID79988854
Molecular FormulaC12H18BrNO3S2
Molecular Weight368.32 g/mol
Exact Mass366.99
IUPAC Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCC2O)sc1Br
InChIInChI=1S/C12H18BrNO3S2/c1-8-6-11(18-12(8)13)19(16,17)14-7-9-4-2-3-5-10(9)15/h6,9-10,14-15H,2-5,7H2,1H3
InChIKeyMBCJRIATNFURQF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 113337757
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
CID 80578682
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide (CID 79988854) is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2CCCCC2O)sc1Br.
What is the InChIKey of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is MBCJRIATNFURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S2/c1-8-6-11(18-12(8)13)19(16,17)14-7-9-4-2-3-5-10(9)15/h6,9-10,14-15H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 368.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79988854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).