5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide

C13H22BrNO2S2 — CID 79995355

IUPAC5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H22BrNO2S2/c1-4-5-6-7-8-11(3)15-19(16,17)12-9-10(2)13(14)18-12/h9,11,15H,4-8H2,1-3H3
InChIKeyYKSUWDLSDBWDKS-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.46
Rot. Bonds8

About 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide

5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide (PubChem CID 79995355) has the molecular formula C13H22BrNO2S2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
PubChem CID79995355
Molecular FormulaC13H22BrNO2S2
Molecular Weight368.36 g/mol
Exact Mass367.03
IUPAC Name5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H22BrNO2S2/c1-4-5-6-7-8-11(3)15-19(16,17)12-9-10(2)13(14)18-12/h9,11,15H,4-8H2,1-3H3
InChIKeyYKSUWDLSDBWDKS-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
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
5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
CID 80577767
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide (CID 79995355) is 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide is CCCCCCC(C)NS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide?
The InChIKey is YKSUWDLSDBWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2S2/c1-4-5-6-7-8-11(3)15-19(16,17)12-9-10(2)13(14)18-12/h9,11,15H,4-8H2,1-3H3.
What are the key properties of 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide?
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide has a molecular weight of 368.36 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 79995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).