N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide

C12H15N3O2S — CID 3236770

IUPACN-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C12H15N3O2S/c1-10-3-2-4-11(7-10)5-6-15-18(16,17)12-8-13-9-14-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14)
InChIKeyWVUZZBJCPFHKKY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide

N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 3236770) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID3236770
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C12H15N3O2S/c1-10-3-2-4-11(7-10)5-6-15-18(16,17)12-8-13-9-14-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14)
InChIKeyWVUZZBJCPFHKKY-UHFFFAOYSA-N
XLogP1.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 2814463
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836671
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836750
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-4-sulfonamide
CID 3240199
N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-imidazole-4-sulfonamide
CID 3241700
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 5307476
N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 6620305
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 9550134
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(2-phenylethyl)glycinamide
CID 12005333
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-[2-(3-methylphenyl)ethyl]glycinamide
CID 12005449

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide (CID 3236770) is N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide is Cc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is WVUZZBJCPFHKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10-3-2-4-11(7-10)5-6-15-18(16,17)12-8-13-9-14-12/h2-4,7-9,15H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide?
N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3236770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).