5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide

C9H14BrNO2S3 — CID 115638717

IUPAC5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCSCCCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S3/c1-14-7-3-2-6-11-16(12,13)9-5-4-8(10)15-9/h4-5,11H,2-3,6-7H2,1H3
InChIKeyGQXUGIAKYPSWGH-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.93
Rot. Bonds7

About 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide

5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 115638717) has the molecular formula C9H14BrNO2S3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID115638717
Molecular FormulaC9H14BrNO2S3
Molecular Weight344.32 g/mol
Exact Mass342.94
IUPAC Name5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCSCCCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S3/c1-14-7-3-2-6-11-16(12,13)9-5-4-8(10)15-9/h4-5,11H,2-3,6-7H2,1H3
InChIKeyGQXUGIAKYPSWGH-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 90523153
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 115638717) is 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide is CSCCCCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is GQXUGIAKYPSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S3/c1-14-7-3-2-6-11-16(12,13)9-5-4-8(10)15-9/h4-5,11H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide?
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 344.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115638717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).