2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide

C21H14N4O4S2 — CID 108784276

IUPAC2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(-c4csc(-c5ccncc5)n4)c3)cc2o1
InChIInChI=1S/C21H14N4O4S2/c26-21-24-17-5-4-16(11-19(17)29-21)31(27,28)25-15-3-1-2-14(10-15)18-12-30-20(23-18)13-6-8-22-9-7-13/h1-12,25H,(H,24,26)
InChIKeyKYJJGZUYAWCWRX-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.11
Rot. Bonds5

About 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108784276) has the molecular formula C21H14N4O4S2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108784276
Molecular FormulaC21H14N4O4S2
Molecular Weight450.50 g/mol
Exact Mass450.05
IUPAC Name2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(-c4csc(-c5ccncc5)n4)c3)cc2o1
InChIInChI=1S/C21H14N4O4S2/c26-21-24-17-5-4-16(11-19(17)29-21)31(27,28)25-15-3-1-2-14(10-15)18-12-30-20(23-18)13-6-8-22-9-7-13/h1-12,25H,(H,24,26)
InChIKeyKYJJGZUYAWCWRX-UHFFFAOYSA-N
XLogP4.11
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784254
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 108784276) is 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(-c4csc(-c5ccncc5)n4)c3)cc2o1.
What is the InChIKey of 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is KYJJGZUYAWCWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4S2/c26-21-24-17-5-4-16(11-19(17)29-21)31(27,28)25-15-3-1-2-14(10-15)18-12-30-20(23-18)13-6-8-22-9-7-13/h1-12,25H,(H,24,26).
What are the key properties of 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 450.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108784276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).