2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide

C13H16ClN3O2S — CID 138032265

IUPAC2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide
SMILESCN(Cc1cnc[nH]1)S(=O)(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2S/c1-17(9-13-8-15-10-16-13)20(18,19)6-5-11-3-2-4-12(14)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16)
InChIKeyPCXGHNIQBWIRBD-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide

2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide (PubChem CID 138032265) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide
PubChem CID138032265
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide
SMILESCN(Cc1cnc[nH]1)S(=O)(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O2S/c1-17(9-13-8-15-10-16-13)20(18,19)6-5-11-3-2-4-12(14)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16)
InChIKeyPCXGHNIQBWIRBD-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[3-hydroxy-2-(hydroxymethyl)propyl]-N-methylethanesulfonamide
CID 154801614
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 146135596
N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 122176217
1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
CID 23368287
5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
CID 158491627
2-(3-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154917685
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64602441

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide (CID 138032265) is 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide is CN(Cc1cnc[nH]1)S(=O)(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide?
The InChIKey is PCXGHNIQBWIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-17(9-13-8-15-10-16-13)20(18,19)6-5-11-3-2-4-12(14)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide?
2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide is sourced from PubChem (CID 138032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).