3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid

C17H15N3O4S2 — CID 110625038

IUPAC3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H15N3O4S2/c21-17(22)13-2-1-3-15(10-13)26(23,24)19-9-6-14-11-25-16(20-14)12-4-7-18-8-5-12/h1-5,7-8,10-11,19H,6,9H2,(H,21,22)
InChIKeyWMTBUTPZIYJPNZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.42
Rot. Bonds7

About 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid

3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid (PubChem CID 110625038) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
PubChem CID110625038
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Name3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H15N3O4S2/c21-17(22)13-2-1-3-15(10-13)26(23,24)19-9-6-14-11-25-16(20-14)12-4-7-18-8-5-12/h1-5,7-8,10-11,19H,6,9H2,(H,21,22)
InChIKeyWMTBUTPZIYJPNZ-UHFFFAOYSA-N
XLogP2.42
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 108784354
3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 38997085
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide
CID 171386322
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid (CID 110625038) is 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is WMTBUTPZIYJPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c21-17(22)13-2-1-3-15(10-13)26(23,24)19-9-6-14-11-25-16(20-14)12-4-7-18-8-5-12/h1-5,7-8,10-11,19H,6,9H2,(H,21,22).
What are the key properties of 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid?
3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 389.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 110625038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).