N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C13H18N4O3S — CID 63258965

IUPACN-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(OC)ccc2N)nc1C
InChIInChI=1S/C13H18N4O3S/c1-4-17-8-13(15-9(17)2)21(18,19)16-12-7-10(20-3)5-6-11(12)14/h5-8,16H,4,14H2,1-3H3
InChIKeyPNMIVAKRTXCCAM-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.60
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 63258965) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID63258965
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(OC)ccc2N)nc1C
InChIInChI=1S/C13H18N4O3S/c1-4-17-8-13(15-9(17)2)21(18,19)16-12-7-10(20-3)5-6-11(12)14/h5-8,16H,4,14H2,1-3H3
InChIKeyPNMIVAKRTXCCAM-UHFFFAOYSA-N
XLogP1.60
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 63258965) is N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc(OC)ccc2N)nc1C.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is PNMIVAKRTXCCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-17-8-13(15-9(17)2)21(18,19)16-12-7-10(20-3)5-6-11(12)14/h5-8,16H,4,14H2,1-3H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).