N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

C13H18N4O2S — CID 103144766

IUPACN-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(C)c(N)cc2C)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-4-12-15-7-13(16-12)20(18,19)17-11-6-8(2)10(14)5-9(11)3/h5-7,17H,4,14H2,1-3H3,(H,15,16)
InChIKeySGQDNBNYOABHJH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds4

About N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 103144766) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID103144766
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(C)c(N)cc2C)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-4-12-15-7-13(16-12)20(18,19)17-11-6-8(2)10(14)5-9(11)3/h5-7,17H,4,14H2,1-3H3,(H,15,16)
InChIKeySGQDNBNYOABHJH-UHFFFAOYSA-N
XLogP1.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 107592693
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103586974
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114259506
4-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 107799032
5-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 82694218
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799125
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 83087161

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 103144766) is N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(C)c(N)cc2C)[nH]1.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is SGQDNBNYOABHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-12-15-7-13(16-12)20(18,19)17-11-6-8(2)10(14)5-9(11)3/h5-7,17H,4,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103144766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).