5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide

C13H19N5O2S — CID 115375981

IUPAC5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1N(C)C
InChIInChI=1S/C13H19N5O2S/c1-9-5-6-10(7-11(9)17(2)3)16-21(19,20)13-12(14)15-8-18(13)4/h5-8,16H,14H2,1-4H3
InChIKeyOLBYWCRNILQFDV-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.18
Rot. Bonds4

About 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide

5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide (PubChem CID 115375981) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
PubChem CID115375981
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1N(C)C
InChIInChI=1S/C13H19N5O2S/c1-9-5-6-10(7-11(9)17(2)3)16-21(19,20)13-12(14)15-8-18(13)4/h5-8,16H,14H2,1-4H3
InChIKeyOLBYWCRNILQFDV-UHFFFAOYSA-N
XLogP1.18
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
CID 54601102
5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
CID 82857389
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 63977546
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
5-amino-N-(5-chloro-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63979821
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide (CID 115375981) is 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(N)ncn2C)cc1N(C)C.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide?
The InChIKey is OLBYWCRNILQFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-5-6-10(7-11(9)17(2)3)16-21(19,20)13-12(14)15-8-18(13)4/h5-8,16H,14H2,1-4H3.
What are the key properties of 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide?
5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115375981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).