5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide

C18H18N2O2S2 — CID 112986064

IUPAC5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-13-3-6-15(7-4-13)19-16-8-10-17(11-9-16)20-24(21,22)18-12-5-14(2)23-18/h3-12,19-20H,1-2H3
InChIKeyDSKPEBBPBSPJTJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.91
Rot. Bonds5

About 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112986064) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112986064
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-13-3-6-15(7-4-13)19-16-8-10-17(11-9-16)20-24(21,22)18-12-5-14(2)23-18/h3-12,19-20H,1-2H3
InChIKeyDSKPEBBPBSPJTJ-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide (CID 112986064) is 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)cc1.
What is the InChIKey of 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is DSKPEBBPBSPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13-3-6-15(7-4-13)19-16-8-10-17(11-9-16)20-24(21,22)18-12-5-14(2)23-18/h3-12,19-20H,1-2H3.
What are the key properties of 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112986064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).