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

C17H14IN3O4S — CID 1108217

IUPAC2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)no1
InChIInChI=1S/C17H14IN3O4S/c1-11-10-16(20-25-11)21-26(23,24)13-8-6-12(7-9-13)19-17(22)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyWCQAWJKVRWWJQM-UHFFFAOYSA-N
MW483.29 g/mol
LogP3.64
Rot. Bonds5

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

2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1108217) has the molecular formula C17H14IN3O4S and a molecular weight of 483.29 g/mol. Its IUPAC name is 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID1108217
Molecular FormulaC17H14IN3O4S
Molecular Weight483.29 g/mol
Exact Mass482.97
IUPAC Name2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)no1
InChIInChI=1S/C17H14IN3O4S/c1-11-10-16(20-25-11)21-26(23,24)13-8-6-12(7-9-13)19-17(22)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyWCQAWJKVRWWJQM-UHFFFAOYSA-N
XLogP3.64
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 4942054
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
2-fluoro-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4950384
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
4,6-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224436
2,2,3,3-tetramethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 25035324
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 1108217) is 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)no1.
What is the InChIKey of 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is WCQAWJKVRWWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O4S/c1-11-10-16(20-25-11)21-26(23,24)13-8-6-12(7-9-13)19-17(22)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 483.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1108217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).