3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide

C9H14N2O4S2 — CID 60651633

IUPAC3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NS(C)(=O)=O)c1C
InChIInChI=1S/C9H14N2O4S2/c1-6-4-8(17(10,14)15)5-9(7(6)2)11-16(3,12)13/h4-5,11H,1-3H3,(H2,10,14,15)
InChIKeyYMUXHJJUSZAZAD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.32
Rot. Bonds3

About 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide

3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide (PubChem CID 60651633) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
PubChem CID60651633
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NS(C)(=O)=O)c1C
InChIInChI=1S/C9H14N2O4S2/c1-6-4-8(17(10,14)15)5-9(7(6)2)11-16(3,12)13/h4-5,11H,1-3H3,(H2,10,14,15)
InChIKeyYMUXHJJUSZAZAD-UHFFFAOYSA-N
XLogP0.32
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717
3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241661
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
1-butyl-3-(2,3-dimethyl-5-sulfamoylphenyl)urea
CID 60654305
3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 43684712
3,4-dimethyl-5-(oxan-4-ylamino)benzenesulfonamide
CID 43684672
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide (CID 60651633) is 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NS(C)(=O)=O)c1C.
What is the InChIKey of 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide?
The InChIKey is YMUXHJJUSZAZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-6-4-8(17(10,14)15)5-9(7(6)2)11-16(3,12)13/h4-5,11H,1-3H3,(H2,10,14,15).
What are the key properties of 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide?
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide has a molecular weight of 278.36 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 60651633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).