3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide

C13H20N2O3S — CID 43684672

IUPAC3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCOCC2)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-12(19(14,16)17)8-13(10(9)2)15-11-3-5-18-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyJWYHEHPDGDITTA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.54
Rot. Bonds3

About 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide

3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide (PubChem CID 43684672) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
PubChem CID43684672
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC2CCOCC2)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-12(19(14,16)17)8-13(10(9)2)15-11-3-5-18-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyJWYHEHPDGDITTA-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
3,4-dimethyl-5-[(1-methylazepan-4-yl)amino]benzenesulfonamide
CID 65070560
N-(2-methyl-5-methylsulfonylphenyl)oxan-4-amine
CID 43685079
3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide
CID 80705810
4-methylsulfonyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43609787
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
CID 114827102
(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
CID 125139107
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide (CID 43684672) is 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NC2CCOCC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide?
The InChIKey is JWYHEHPDGDITTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-12(19(14,16)17)8-13(10(9)2)15-11-3-5-18-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,14,16,17).
What are the key properties of 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide?
3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 43684672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).