N-benzyl-1H-imidazole-5-sulfonamide

C10H11N3O2S — CID 3242365

IUPACN-benzyl-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C10H11N3O2S/c14-16(15,10-7-11-8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,11,12)
InChIKeyBCJYOMALQIGARS-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.89
Rot. Bonds4

About N-benzyl-1H-imidazole-5-sulfonamide

N-benzyl-1H-imidazole-5-sulfonamide (PubChem CID 3242365) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-benzyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1H-imidazole-5-sulfonamide
PubChem CID3242365
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-benzyl-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C10H11N3O2S/c14-16(15,10-7-11-8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,11,12)
InChIKeyBCJYOMALQIGARS-UHFFFAOYSA-N
XLogP0.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.89
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-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
1-(1H-imidazol-4-ylsulfonyl)indoline
CID 3238261
N-{2-[benzyl(methyl)amino]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240457
N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-imidazole-4-sulfonamide
CID 3241700
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
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
1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 9551480

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-benzyl-1H-imidazole-5-sulfonamide (CID 3242365) is N-benzyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-benzyl-1H-imidazole-5-sulfonamide is O=S(=O)(NCc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-benzyl-1H-imidazole-5-sulfonamide?
The InChIKey is BCJYOMALQIGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-16(15,10-7-11-8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,11,12).
What are the key properties of N-benzyl-1H-imidazole-5-sulfonamide?
N-benzyl-1H-imidazole-5-sulfonamide has a molecular weight of 237.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3242365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).