5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide

C12H16BrNO2S2 — CID 79934766

IUPAC5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C12H16BrNO2S2/c1-7-6-10(17-12(7)13)18(15,16)14-11(8-2-3-8)9-4-5-9/h6,8-9,11,14H,2-5H2,1H3
InChIKeyJBRACKAACFHIOW-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.29
Rot. Bonds5

About 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79934766) has the molecular formula C12H16BrNO2S2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
PubChem CID79934766
Molecular FormulaC12H16BrNO2S2
Molecular Weight350.30 g/mol
Exact Mass348.98
IUPAC Name5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C12H16BrNO2S2/c1-7-6-10(17-12(7)13)18(15,16)14-11(8-2-3-8)9-4-5-9/h6,8-9,11,14H,2-5H2,1H3
InChIKeyJBRACKAACFHIOW-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79998796
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide (CID 79934766) is 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C2CC2)C2CC2)sc1Br.
What is the InChIKey of 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is JBRACKAACFHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S2/c1-7-6-10(17-12(7)13)18(15,16)14-11(8-2-3-8)9-4-5-9/h6,8-9,11,14H,2-5H2,1H3.
What are the key properties of 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 350.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79934766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).