5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide

C8H12BrNO3S2 — CID 79988466

IUPAC5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CO)sc1Br
InChIInChI=1S/C8H12BrNO3S2/c1-5-3-7(14-8(5)9)15(12,13)10-6(2)4-11/h3,6,10-11H,4H2,1-2H3
InChIKeyIJOMAFWDVQZUPO-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.48
Rot. Bonds4

About 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 79988466) has the molecular formula C8H12BrNO3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
PubChem CID79988466
Molecular FormulaC8H12BrNO3S2
Molecular Weight314.23 g/mol
Exact Mass312.94
IUPAC Name5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CO)sc1Br
InChIInChI=1S/C8H12BrNO3S2/c1-5-3-7(14-8(5)9)15(12,13)10-6(2)4-11/h3,6,10-11H,4H2,1-2H3
InChIKeyIJOMAFWDVQZUPO-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
CID 79995355
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide (CID 79988466) is 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)CO)sc1Br.
What is the InChIKey of 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is IJOMAFWDVQZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S2/c1-5-3-7(14-8(5)9)15(12,13)10-6(2)4-11/h3,6,10-11H,4H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 314.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79988466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).