3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide

C11H16BrNO2S2 — CID 61074456

IUPAC3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c12-10-6-7-16-11(10)17(14,15)13-8-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2
InChIKeyCNNBIZXSPHJSQX-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.37
Rot. Bonds4

About 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide

3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide (PubChem CID 61074456) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
PubChem CID61074456
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c12-10-6-7-16-11(10)17(14,15)13-8-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2
InChIKeyCNNBIZXSPHJSQX-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide (CID 61074456) is 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1CCCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide?
The InChIKey is CNNBIZXSPHJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c12-10-6-7-16-11(10)17(14,15)13-8-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2.
What are the key properties of 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide?
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61074456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).