3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide

C12H14ClN3O2S — CID 39622822

IUPAC3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H14ClN3O2S/c1-10-11(13)3-2-4-12(10)19(17,18)15-6-8-16-7-5-14-9-16/h2-5,7,9,15H,6,8H2,1H3
InChIKeyBYPHLNKVOZCLGV-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.82
Rot. Bonds5

About 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide

3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide (PubChem CID 39622822) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
PubChem CID39622822
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H14ClN3O2S/c1-10-11(13)3-2-4-12(10)19(17,18)15-6-8-16-7-5-14-9-16/h2-5,7,9,15H,6,8H2,1H3
InChIKeyBYPHLNKVOZCLGV-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
5-(2,3-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430299
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide (CID 39622822) is 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide?
The InChIKey is BYPHLNKVOZCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-10-11(13)3-2-4-12(10)19(17,18)15-6-8-16-7-5-14-9-16/h2-5,7,9,15H,6,8H2,1H3.
What are the key properties of 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide?
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39622822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).