5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide

C10H14BrNO3S3 — CID 113347709

IUPAC5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCS(=O)CC2)sc1Br
InChIInChI=1S/C10H14BrNO3S3/c1-7-6-9(16-10(7)11)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyXDYZYSQZQLMXOZ-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.01
Rot. Bonds3

About 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide (PubChem CID 113347709) has the molecular formula C10H14BrNO3S3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
PubChem CID113347709
Molecular FormulaC10H14BrNO3S3
Molecular Weight372.33 g/mol
Exact Mass370.93
IUPAC Name5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCS(=O)CC2)sc1Br
InChIInChI=1S/C10H14BrNO3S3/c1-7-6-9(16-10(7)11)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyXDYZYSQZQLMXOZ-UHFFFAOYSA-N
XLogP2.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
CID 104600176
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide (CID 113347709) is 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCS(=O)CC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide?
The InChIKey is XDYZYSQZQLMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S3/c1-7-6-9(16-10(7)11)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide has a molecular weight of 372.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 113347709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).