5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

C14H13N3O4S4 — CID 2813176

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cs1
InChIInChI=1S/C14H13N3O4S4/c1-9-16-12(8-22-9)13-5-6-14(23-13)25(20,21)17-10-3-2-4-11(7-10)24(15,18)19/h2-8,17H,1H3,(H2,15,18,19)
InChIKeyYSYIHQYYTWATDU-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.63
Rot. Bonds5

About 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 2813176) has the molecular formula C14H13N3O4S4 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID2813176
Molecular FormulaC14H13N3O4S4
Molecular Weight415.54 g/mol
Exact Mass414.98
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cs1
InChIInChI=1S/C14H13N3O4S4/c1-9-16-12(8-22-9)13-5-6-14(23-13)25(20,21)17-10-3-2-4-11(7-10)24(15,18)19/h2-8,17H,1H3,(H2,15,18,19)
InChIKeyYSYIHQYYTWATDU-UHFFFAOYSA-N
XLogP2.63
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-Benzothiazol-2-yl)thiophene-2-sulfonamide
CID 11687981
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
N,N-Diethyl-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide
CID 2795581
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
N2-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795735
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide
CID 3239280
N-[4-({[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}amino)phenyl]acetamide
CID 2814520
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-5-(2-methyl-1,3-thiazol-4-yl)-2-thiophenesulfonamide
CID 2813175
5-bromo-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-sulfonamide
CID 2823621
4-[4-(4-Methanesulfonylamino-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537001
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl Chloride
CID 2736979
N-(3-(Benzo[d]thiazol-2-yl)thiophen-2-yl)-1-(methylsulfonyl)methanesulfonamide
CID 45269709

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (CID 2813176) is 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is YSYIHQYYTWATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S4/c1-9-16-12(8-22-9)13-5-6-14(23-13)25(20,21)17-10-3-2-4-11(7-10)24(15,18)19/h2-8,17H,1H3,(H2,15,18,19).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 415.54 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2813176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).