N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide

C11H16BrNO2S2 — CID 114295850

IUPACN-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(Br)CC2)s1
InChIInChI=1S/C11H16BrNO2S2/c1-8-2-7-11(16-8)17(14,15)13-10-5-3-9(12)4-6-10/h2,7,9-10,13H,3-6H2,1H3
InChIKeyDJEAHUVECHTXLC-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.04
Rot. Bonds3

About N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide

N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide (PubChem CID 114295850) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
PubChem CID114295850
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC NameN-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(Br)CC2)s1
InChIInChI=1S/C11H16BrNO2S2/c1-8-2-7-11(16-8)17(14,15)13-10-5-3-9(12)4-6-10/h2,7,9-10,13H,3-6H2,1H3
InChIKeyDJEAHUVECHTXLC-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 110726893
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106134969
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
CID 153311127
5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide
CID 75393016

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide (CID 114295850) is N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(Br)CC2)s1.
What is the InChIKey of N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is DJEAHUVECHTXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-8-2-7-11(16-8)17(14,15)13-10-5-3-9(12)4-6-10/h2,7,9-10,13H,3-6H2,1H3.
What are the key properties of N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide?
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114295850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).