N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H17N3O5S2 — CID 8603709

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-14-9)22(17,18)15-11-5-7-12(8-6-11)23(19,20)16(3)4/h5-8,15H,1-4H3
InChIKeyHPKYRXWDUSBKDX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.34
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 8603709) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID8603709
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-14-9)22(17,18)15-11-5-7-12(8-6-11)23(19,20)16(3)4/h5-8,15H,1-4H3
InChIKeyHPKYRXWDUSBKDX-UHFFFAOYSA-N
XLogP1.34
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 8603709) is N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HPKYRXWDUSBKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-14-9)22(17,18)15-11-5-7-12(8-6-11)23(19,20)16(3)4/h5-8,15H,1-4H3.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 359.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 8603709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).