2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide

C16H15NO2S2 — CID 687985

IUPAC2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C16H15NO2S2/c1-11-9-16(12(2)20-11)21(18,19)17-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,17H,1-2H3
InChIKeyIXTMHBTXYDHFIQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.32
Rot. Bonds3

About 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide

2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide (PubChem CID 687985) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide
PubChem CID687985
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC Name2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C16H15NO2S2/c1-11-9-16(12(2)20-11)21(18,19)17-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,17H,1-2H3
InChIKeyIXTMHBTXYDHFIQ-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
N-{3-[2-(Dimethylamino)ethyl]-2-methyl-1H-inden-5-yl}-1-benzothiophene-3-sulfonamide
CID 16718917
N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 2474125
N-(2-naphthyl)benzenesulfonamide
CID 346543
N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 2068299
N-(1-naphthyl)-2-thiophenesulfonamide
CID 736201
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(5-methylthiophen-2-yl)benzenesulfonamide
CID 44425704
N-[3-(aminomethyl)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
CID 155568250
N-(3-methylphenyl)thiophene-2-sulfonamide
CID 738616
N-(4-butylphenyl)thiophene-2-sulfonamide
CID 2133742
Thiophene-2-sulfonic acid (4-p-tolylsulfamoyl-phenyl)-amide
CID 1075762
Thiophene-2-sulfonic acid (4-m-tolylsulfamoyl-phenyl)-amide
CID 1092856

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide (CID 687985) is 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide?
The InChIKey is IXTMHBTXYDHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-11-9-16(12(2)20-11)21(18,19)17-15-8-7-13-5-3-4-6-14(13)10-15/h3-10,17H,1-2H3.
What are the key properties of 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide?
2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-naphthalen-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 687985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).