2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene

C9H15N3O2S — CID 112573869

IUPAC2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
SMILESCc1ccc(NS(N)(=O)=O)cc1N(C)C
InChIInChI=1S/C9H15N3O2S/c1-7-4-5-8(11-15(10,13)14)6-9(7)12(2)3/h4-6,11H,1-3H3,(H2,10,13,14)
InChIKeyTVLZUDZBPVZWBC-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.68
Rot. Bonds3

About 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene

2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene (PubChem CID 112573869) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
PubChem CID112573869
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
SMILESCc1ccc(NS(N)(=O)=O)cc1N(C)C
InChIInChI=1S/C9H15N3O2S/c1-7-4-5-8(11-15(10,13)14)6-9(7)12(2)3/h4-6,11H,1-3H3,(H2,10,13,14)
InChIKeyTVLZUDZBPVZWBC-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 106073992
5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
CID 115375981
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 115376859
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene?
The IUPAC name of 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene (CID 112573869) is 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene.
What is the SMILES notation for 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene?
The canonical SMILES for 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene is Cc1ccc(NS(N)(=O)=O)cc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene?
The InChIKey is TVLZUDZBPVZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-4-5-8(11-15(10,13)14)6-9(7)12(2)3/h4-6,11H,1-3H3,(H2,10,13,14).
What are the key properties of 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene?
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene has a molecular weight of 229.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene is sourced from PubChem (CID 112573869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).