3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide

C11H16BrNO2S2 — CID 63994007

IUPAC3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-9(7-8-3-4-8)13-17(14,15)11-10(12)5-6-16-11/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyCPAIDYWKAPNBLG-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.37
Rot. Bonds6

About 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide

3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 63994007) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID63994007
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-9(7-8-3-4-8)13-17(14,15)11-10(12)5-6-16-11/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyCPAIDYWKAPNBLG-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
CID 97225503
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide (CID 63994007) is 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is CPAIDYWKAPNBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-2-9(7-8-3-4-8)13-17(14,15)11-10(12)5-6-16-11/h5-6,8-9,13H,2-4,7H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide?
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 63994007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).