2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

C17H13Cl2N3O4S — CID 997427

IUPAC2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)no1
InChIInChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)14-7-2-11(18)9-15(14)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeySAKMTGFBMBBSBS-UHFFFAOYSA-N
MW426.28 g/mol
LogP4.34
Rot. Bonds5

About 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 997427) has the molecular formula C17H13Cl2N3O4S and a molecular weight of 426.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID997427
Molecular FormulaC17H13Cl2N3O4S
Molecular Weight426.28 g/mol
Exact Mass425.00
IUPAC Name2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)no1
InChIInChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)14-7-2-11(18)9-15(14)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeySAKMTGFBMBBSBS-UHFFFAOYSA-N
XLogP4.34
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 997427) is 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)no1.
What is the InChIKey of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is SAKMTGFBMBBSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)14-7-2-11(18)9-15(14)19/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 426.28 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 997427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).