N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C17H19N3O4S4 — CID 2813175

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1
InChIInChI=1S/C17H19N3O4S4/c1-11-5-6-13(28(23,24)20(3)4)9-14(11)19-27(21,22)17-8-7-16(26-17)15-10-25-12(2)18-15/h5-10,19H,1-4H3
InChIKeyPTCAAHDRELWIAM-UHFFFAOYSA-N
MW457.62 g/mol
LogP3.54
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2813175) has the molecular formula C17H19N3O4S4 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2813175
Molecular FormulaC17H19N3O4S4
Molecular Weight457.62 g/mol
Exact Mass457.03
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1
InChIInChI=1S/C17H19N3O4S4/c1-11-5-6-13(28(23,24)20(3)4)9-14(11)19-27(21,22)17-8-7-16(26-17)15-10-25-12(2)18-15/h5-10,19H,1-4H3
InChIKeyPTCAAHDRELWIAM-UHFFFAOYSA-N
XLogP3.54
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2813175) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is PTCAAHDRELWIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S4/c1-11-5-6-13(28(23,24)20(3)4)9-14(11)19-27(21,22)17-8-7-16(26-17)15-10-25-12(2)18-15/h5-10,19H,1-4H3.
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 457.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2813175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).