4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide

C10H17N3O2S — CID 69123591

IUPAC4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1cc(N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H17N3O2S/c1-12(2)9-7-8(11)5-6-10(9)16(14,15)13(3)4/h5-7H,11H2,1-4H3
InChIKeyGHKUENMLGIVQRE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.59
Rot. Bonds3

About 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide

4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 69123591) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID69123591
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1cc(N)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H17N3O2S/c1-12(2)9-7-8(11)5-6-10(9)16(14,15)13(3)4/h5-7H,11H2,1-4H3
InChIKeyGHKUENMLGIVQRE-UHFFFAOYSA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-cyano-N,N-dimethylbenzenesulfonamide
CID 43256213
4-amino-2-(dimethylsulfamoyl)benzamide
CID 162727252
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 28795698
2-(4-aminophenyl)sulfonyl-N,N-dimethyl-5-nitroaniline
CID 19912926
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
CID 99988945
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
CID 165486376
2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
CID 170754741

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide (CID 69123591) is 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)c1cc(N)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is GHKUENMLGIVQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12(2)9-7-8(11)5-6-10(9)16(14,15)13(3)4/h5-7H,11H2,1-4H3.
What are the key properties of 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 69123591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).