N-benzyl-1-methylimidazole-4-sulfonamide

C11H13N3O2S — CID 3477441

IUPACN-benzyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C11H13N3O2S/c1-14-8-11(12-9-14)17(15,16)13-7-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3
InChIKeyKNQNWAOHYMOBCY-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.90
Rot. Bonds4

About N-benzyl-1-methylimidazole-4-sulfonamide

N-benzyl-1-methylimidazole-4-sulfonamide (PubChem CID 3477441) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-benzyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-methylimidazole-4-sulfonamide
PubChem CID3477441
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-benzyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C11H13N3O2S/c1-14-8-11(12-9-14)17(15,16)13-7-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3
InChIKeyKNQNWAOHYMOBCY-UHFFFAOYSA-N
XLogP0.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(p-Toluenesulfonyl)imidazole
CID 75219
4-[(3R,4S)-3-benzyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 90405330
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
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
N-[2-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]indoline
CID 3237010
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-imidazole-4-sulfonamide
CID 3241700
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
N-[(4-Bromophenyl)methyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 20958647

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-methylimidazole-4-sulfonamide (CID 3477441) is N-benzyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-methylimidazole-4-sulfonamide?
The InChIKey is KNQNWAOHYMOBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14-8-11(12-9-14)17(15,16)13-7-10-5-3-2-4-6-10/h2-6,8-9,13H,7H2,1H3.
What are the key properties of N-benzyl-1-methylimidazole-4-sulfonamide?
N-benzyl-1-methylimidazole-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 3477441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).