1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

C14H19N3O2S — CID 81340380

IUPAC1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccccc1Cn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C14H19N3O2S/c1-10(2)14-16-13(20(15,18)19)9-17(14)8-12-7-5-4-6-11(12)3/h4-7,9-10H,8H2,1-3H3,(H2,15,18,19)
InChIKeySLDLMTACMSNEHE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.01
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340380) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340380
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccccc1Cn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C14H19N3O2S/c1-10(2)14-16-13(20(15,18)19)9-17(14)8-12-7-5-4-6-11(12)3/h4-7,9-10H,8H2,1-3H3,(H2,15,18,19)
InChIKeySLDLMTACMSNEHE-UHFFFAOYSA-N
XLogP2.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 106871058
2-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 81340774
2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
CID 81340289
4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 59532168
1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340007
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81342661
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 103051987
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
4-[(2-methylphenyl)methyl]benzenesulfonamide
CID 139623698
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 81340380) is 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is Cc1ccccc1Cn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is SLDLMTACMSNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)14-16-13(20(15,18)19)9-17(14)8-12-7-5-4-6-11(12)3/h4-7,9-10H,8H2,1-3H3,(H2,15,18,19).
What are the key properties of 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).