N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C21H15ClN4O4S — CID 112838869

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C21H15ClN4O4S/c22-17-6-1-2-7-18(17)26-31(28,29)16-5-3-4-15(12-16)24-21(27)19-13-20(30-25-19)14-8-10-23-11-9-14/h1-13,26H,(H,24,27)
InChIKeyHNZYEZQCUDHBMK-UHFFFAOYSA-N
MW454.90 g/mol
LogP4.44
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 112838869) has the molecular formula C21H15ClN4O4S and a molecular weight of 454.90 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID112838869
Molecular FormulaC21H15ClN4O4S
Molecular Weight454.90 g/mol
Exact Mass454.05
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C21H15ClN4O4S/c22-17-6-1-2-7-18(17)26-31(28,29)16-5-3-4-15(12-16)24-21(27)19-13-20(30-25-19)14-8-10-23-11-9-14/h1-13,26H,(H,24,27)
InChIKeyHNZYEZQCUDHBMK-UHFFFAOYSA-N
XLogP4.44
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29202643
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 32738196
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-[2-[[3-[(2-chlorophenyl)sulfamoyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 39891473
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 26593085
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891281

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 112838869) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HNZYEZQCUDHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O4S/c22-17-6-1-2-7-18(17)26-31(28,29)16-5-3-4-15(12-16)24-21(27)19-13-20(30-25-19)14-8-10-23-11-9-14/h1-13,26H,(H,24,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 454.90 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112838869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).