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

C16H13Cl2N3O5S2 — CID 11271175

IUPAC2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)no1
InChIInChI=1S/C16H13Cl2N3O5S2/c1-10-8-16(19-26-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)15-7-2-11(17)9-14(15)18/h2-9,20H,1H3,(H,19,21)
InChIKeySLALSKLYJNSKSG-UHFFFAOYSA-N
MW462.34 g/mol
LogP3.89
Rot. Bonds6

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

2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 11271175) has the molecular formula C16H13Cl2N3O5S2 and a molecular weight of 462.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID11271175
Molecular FormulaC16H13Cl2N3O5S2
Molecular Weight462.34 g/mol
Exact Mass460.97
IUPAC Name2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)no1
InChIInChI=1S/C16H13Cl2N3O5S2/c1-10-8-16(19-26-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)15-7-2-11(17)9-14(15)18/h2-9,20H,1H3,(H,19,21)
InChIKeySLALSKLYJNSKSG-UHFFFAOYSA-N
XLogP3.89
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
CID 57350054
CID 57350054
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 11271175) is 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=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]benzenesulfonamide?
The InChIKey is SLALSKLYJNSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O5S2/c1-10-8-16(19-26-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)15-7-2-11(17)9-14(15)18/h2-9,20H,1H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 462.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]benzenesulfonamide is sourced from PubChem (CID 11271175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).