N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide

C19H21N3O5S2 — CID 10670536

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C19H21N3O5S2/c1-13-14(2)20-27-19(13)21-28(23,24)18-8-6-5-7-17(18)15-9-11-16(12-10-15)29(25,26)22(3)4/h5-12,21H,1-4H3
InChIKeyLFHCHKHNRPXNCK-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.01
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 10670536) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID10670536
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1C
InChIInChI=1S/C19H21N3O5S2/c1-13-14(2)20-27-19(13)21-28(23,24)18-8-6-5-7-17(18)15-9-11-16(12-10-15)29(25,26)22(3)4/h5-12,21H,1-4H3
InChIKeyLFHCHKHNRPXNCK-UHFFFAOYSA-N
XLogP3.01
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide (CID 10670536) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is LFHCHKHNRPXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-13-14(2)20-27-19(13)21-28(23,24)18-8-6-5-7-17(18)15-9-11-16(12-10-15)29(25,26)22(3)4/h5-12,21H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 435.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10670536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).