N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide

C12H15N3O2S — CID 4130487

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-2-4-12(5-3-10)18(16,17)15-7-6-11-8-13-9-14-11/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)
InChIKeyRFLBGUBESCTFJO-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 4130487) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID4130487
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-2-4-12(5-3-10)18(16,17)15-7-6-11-8-13-9-14-11/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)
InChIKeyRFLBGUBESCTFJO-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

4-benzyl-1H-imidazole
CID 594090
N-[3-(Cyclohexylidene-1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
CID 6603710
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
CID 46222048
N-[(4-Methylphenyl)sulfonyl]histidine
CID 259002
4-(1H-imidazol-4-yl)benzene-1-thiol
CID 24971328
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-(pentan-3-ylamino)benzenesulfonamide
CID 44325020
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-phenylbenzenesulfonamide
CID 44325295
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
[(2-imidazol-4-ylethyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 395829
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 4130652
(2-Imidazol-4-ylethyl)[(4-iodophenyl)sulfonyl]amine
CID 5177367

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide (CID 4130487) is N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is RFLBGUBESCTFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10-2-4-12(5-3-10)18(16,17)15-7-6-11-8-13-9-14-11/h2-5,8-9,15H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide 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-(1H-imidazol-5-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4130487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).