5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide

C10H16BrNO2S2 — CID 79931524

IUPAC5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC(C)C)sc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-7(2)6-12(4)16(13,14)9-5-8(3)10(11)15-9/h5,7H,6H2,1-4H3
InChIKeyAWXANFPVILOWCY-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.10
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide

5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 79931524) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID79931524
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC Name5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC(C)C)sc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-7(2)6-12(4)16(13,14)9-5-8(3)10(11)15-9/h5,7H,6H2,1-4H3
InChIKeyAWXANFPVILOWCY-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
CID 79988961
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide (CID 79931524) is 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CC(C)C)sc1Br.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is AWXANFPVILOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-7(2)6-12(4)16(13,14)9-5-8(3)10(11)15-9/h5,7H,6H2,1-4H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 326.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79931524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).