N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide

C22H16ClN3O4S — CID 55819813

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C22H16ClN3O4S/c23-17-8-10-18(11-9-17)26-31(28,29)20-3-1-2-19(12-20)25-22(27)16-6-4-15(5-7-16)21-13-24-14-30-21/h1-14,26H,(H,25,27)
InChIKeyJJJQASIPMKMYJP-UHFFFAOYSA-N
MW453.91 g/mol
LogP5.05
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 55819813) has the molecular formula C22H16ClN3O4S and a molecular weight of 453.91 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID55819813
Molecular FormulaC22H16ClN3O4S
Molecular Weight453.91 g/mol
Exact Mass453.06
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C22H16ClN3O4S/c23-17-8-10-18(11-9-17)26-31(28,29)20-3-1-2-19(12-20)25-22(27)16-6-4-15(5-7-16)21-13-24-14-30-21/h1-14,26H,(H,25,27)
InChIKeyJJJQASIPMKMYJP-UHFFFAOYSA-N
XLogP5.05
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.91
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
3,4-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 2806355
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 26720210
N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55991558
3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60810765
4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 87046723
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide (CID 55819813) is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is JJJQASIPMKMYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4S/c23-17-8-10-18(11-9-17)26-31(28,29)20-3-1-2-19(12-20)25-22(27)16-6-4-15(5-7-16)21-13-24-14-30-21/h1-14,26H,(H,25,27).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 453.91 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 55819813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).