5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide

C12H13BrClNO2S3 — CID 80580037

IUPAC5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H13BrClNO2S3/c1-8(6-9-4-3-5-18-9)15(2)20(16,17)11-7-10(14)12(13)19-11/h3-5,7-8H,6H2,1-2H3
InChIKeyXOCWHHBNESBQGK-UHFFFAOYSA-N
MW414.80 g/mol
LogP4.48
Rot. Bonds5

About 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 80580037) has the molecular formula C12H13BrClNO2S3 and a molecular weight of 414.80 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID80580037
Molecular FormulaC12H13BrClNO2S3
Molecular Weight414.80 g/mol
Exact Mass412.90
IUPAC Name5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H13BrClNO2S3/c1-8(6-9-4-3-5-18-9)15(2)20(16,17)11-7-10(14)12(13)19-11/h3-5,7-8H,6H2,1-2H3
InChIKeyXOCWHHBNESBQGK-UHFFFAOYSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
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4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
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3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
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5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
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4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
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4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
1-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propane-2-sulfonamide
CID 79487473
1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide (CID 80580037) is 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is XOCWHHBNESBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2S3/c1-8(6-9-4-3-5-18-9)15(2)20(16,17)11-7-10(14)12(13)19-11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 414.80 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80580037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).