4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

C12H14ClN3O2S — CID 110666564

IUPAC4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9-14-8-11(16-9)6-7-15-19(17,18)12-4-2-10(13)3-5-12/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyQOYXJYRPNGWUAH-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.89
Rot. Bonds5

About 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110666564) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110666564
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(CCNS(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9-14-8-11(16-9)6-7-15-19(17,18)12-4-2-10(13)3-5-12/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyQOYXJYRPNGWUAH-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 67750369
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643307
4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 22430774
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-methylbenzenesulfonamide
CID 11702689
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 110666564) is 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is Cc1ncc(CCNS(=O)(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is QOYXJYRPNGWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9-14-8-11(16-9)6-7-15-19(17,18)12-4-2-10(13)3-5-12/h2-5,8,15H,6-7H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110666564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).