N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide

C11H14N4O3S — CID 104847766

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H14N4O3S/c1-18-10-4-8(5-12)2-3-9(10)15-19(16,17)11-6-13-7-14-11/h2-4,6-7,15H,5,12H2,1H3,(H,13,14)
InChIKeyWOEVIPGDVYPDBE-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.68
Rot. Bonds5

About N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide

N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide (PubChem CID 104847766) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
PubChem CID104847766
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H14N4O3S/c1-18-10-4-8(5-12)2-3-9(10)15-19(16,17)11-6-13-7-14-11/h2-4,6-7,15H,5,12H2,1H3,(H,13,14)
InChIKeyWOEVIPGDVYPDBE-UHFFFAOYSA-N
XLogP0.68
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
CID 102695858
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143
N-[4-(2-chloroethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 65031162
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide (CID 104847766) is N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide is COc1cc(CN)ccc1NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is WOEVIPGDVYPDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-18-10-4-8(5-12)2-3-9(10)15-19(16,17)11-6-13-7-14-11/h2-4,6-7,15H,5,12H2,1H3,(H,13,14).
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide?
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104847766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).