N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide

C13H16ClN3O2S — CID 164639578

IUPACN-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C13H16ClN3O2S/c1-2-20(18,19)16-9-13(17-8-7-15-10-17)11-3-5-12(14)6-4-11/h3-8,10,13,16H,2,9H2,1H3/t13-/m0/s1
InChIKeyVSGDTSBJYWZWGB-ZDUSSCGKSA-N
MW313.81 g/mol
LogP2.07
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide

N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide (PubChem CID 164639578) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide
PubChem CID164639578
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C13H16ClN3O2S/c1-2-20(18,19)16-9-13(17-8-7-15-10-17)11-3-5-12(14)6-4-11/h3-8,10,13,16H,2,9H2,1H3/t13-/m0/s1
InChIKeyVSGDTSBJYWZWGB-ZDUSSCGKSA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-methylacetamide
CID 7151062
2-[1-[(4-Chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151082
2-[(4-Chlorophenyl)methyl]-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862547
2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862601
2-[(1R)-1-(4-chlorophenyl)ethyl]-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862602
2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(cyclopropylmethyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862652
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2810685
US9656955, Example 262
CID 90404375
N-[2-(2-chlorophenyl)-2-imidazol-1-ylethyl]-N',N'-diethylpropane-1,3-diamine
CID 16108908
(2E)-N-[1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-3,7-dimethyl-2,6-octadien-1-amine
CID 6476763
(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]-N,3,7-trimethyl-octa-2,6-dien-1-amine
CID 6476764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide (CID 164639578) is N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide?
The InChIKey is VSGDTSBJYWZWGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-2-20(18,19)16-9-13(17-8-7-15-10-17)11-3-5-12(14)6-4-11/h3-8,10,13,16H,2,9H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide?
N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-imidazol-1-ylethyl]ethanesulfonamide is sourced from PubChem (CID 164639578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).