5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide

C16H15NO2S3 — CID 159287719

IUPAC5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)s3)s2)cc1
InChIInChI=1S/C16H15NO2S3/c1-11-3-6-13(7-4-11)14-8-10-16(21-14)22(18,19)17-15-9-5-12(2)20-15/h3-10,17H,1-2H3
InChIKeyDQVBRXHFCWFDSL-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.89
Rot. Bonds4

About 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide

5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide (PubChem CID 159287719) has the molecular formula C16H15NO2S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide
PubChem CID159287719
Molecular FormulaC16H15NO2S3
Molecular Weight349.50 g/mol
Exact Mass349.03
IUPAC Name5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)s3)s2)cc1
InChIInChI=1S/C16H15NO2S3/c1-11-3-6-13(7-4-11)14-8-10-16(21-14)22(18,19)17-15-9-5-12(2)20-15/h3-10,17H,1-2H3
InChIKeyDQVBRXHFCWFDSL-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide (CID 159287719) is 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)s3)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide?
The InChIKey is DQVBRXHFCWFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S3/c1-11-3-6-13(7-4-11)14-8-10-16(21-14)22(18,19)17-15-9-5-12(2)20-15/h3-10,17H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide?
5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 159287719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).