3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

C10H14ClN3O6S2 — CID 162113244

IUPAC3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1noc(C)c1S(=O)(=O)Cl.Cc1noc(C)c1S(N)(=O)=O
InChIInChI=1S/C5H6ClNO3S.C5H8N2O3S/c2*1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3;1-2H3,(H2,6,8,9)
InChIKeyZGKVCVZZOCLTTL-UHFFFAOYSA-N
MW371.82 g/mol
LogP1.16
Rot. Bonds2

About 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride (PubChem CID 162113244) has the molecular formula C10H14ClN3O6S2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
PubChem CID162113244
Molecular FormulaC10H14ClN3O6S2
Molecular Weight371.82 g/mol
Exact Mass371.00
IUPAC Name3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1noc(C)c1S(=O)(=O)Cl.Cc1noc(C)c1S(N)(=O)=O
InChIInChI=1S/C5H6ClNO3S.C5H8N2O3S/c2*1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3;1-2H3,(H2,6,8,9)
InChIKeyZGKVCVZZOCLTTL-UHFFFAOYSA-N
XLogP1.16
TPSA146.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethyl-1,2-oxazole-4-sulfonic acid;hydrochloride
CID 142193627
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride (CID 162113244) is 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride is Cc1noc(C)c1S(=O)(=O)Cl.Cc1noc(C)c1S(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The InChIKey is ZGKVCVZZOCLTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S.C5H8N2O3S/c2*1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3;1-2H3,(H2,6,8,9).
What are the key properties of 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride has a molecular weight of 371.82 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride is sourced from PubChem (CID 162113244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).