N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C14H19N3O2S — CID 3530294

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cnc[nH]2)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-6-11(2)14(12(3)7-10)20(18,19)17-5-4-13-8-15-9-16-13/h6-9,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyVPAIMJWURQDMLU-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 3530294) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID3530294
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cnc[nH]2)c(C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-6-11(2)14(12(3)7-10)20(18,19)17-5-4-13-8-15-9-16-13/h6-9,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyVPAIMJWURQDMLU-UHFFFAOYSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 11743386
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-phenylbenzenesulfonamide
CID 44325295
[(2-imidazol-4-ylethyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 395829
(2-Imidazol-4-ylethyl)[(4-methylphenyl)sulfonyl]amine
CID 4130487
(2-Imidazol-4-ylethyl)[(4-iodophenyl)sulfonyl]amine
CID 5177367
Abt-866
CID 9838192
4-tert-Butyl-N-[4-(1H-imidazol-4-yl)-butyl]-benzenesulfonamide
CID 10359599
Benzenesulfonylhistamine
CID 22570228
N-[4-(1H-Imidazol-4-yl)-butyl]-C-phenyl-methanesulfonamide
CID 44308825
(2-Imidazol-4-ylethyl)[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amine
CID 4127256
N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
CID 4205028
(2-Imidazol-4-ylethyl)[benzylsulfonyl]amine
CID 4598386

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 3530294) is N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2cnc[nH]2)c(C)c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is VPAIMJWURQDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-6-11(2)14(12(3)7-10)20(18,19)17-5-4-13-8-15-9-16-13/h6-9,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 3530294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).