3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide

C12H20N2O2S — CID 43684700

IUPAC3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCC(C)C)c1C
InChIInChI=1S/C12H20N2O2S/c1-8(2)7-14-12-6-11(17(13,15)16)5-9(3)10(12)4/h5-6,8,14H,7H2,1-4H3,(H2,13,15,16)
InChIKeyPYQIHUHARSWEIY-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.02
Rot. Bonds4

About 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide

3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide (PubChem CID 43684700) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
PubChem CID43684700
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCC(C)C)c1C
InChIInChI=1S/C12H20N2O2S/c1-8(2)7-14-12-6-11(17(13,15)16)5-9(3)10(12)4/h5-6,8,14H,7H2,1-4H3,(H2,13,15,16)
InChIKeyPYQIHUHARSWEIY-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 43684712
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684675
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
CID 43781239
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 43684711
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide (CID 43684700) is 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCC(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide?
The InChIKey is PYQIHUHARSWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)7-14-12-6-11(17(13,15)16)5-9(3)10(12)4/h5-6,8,14H,7H2,1-4H3,(H2,13,15,16).
What are the key properties of 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide?
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide is sourced from PubChem (CID 43684700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).