N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide

C13H13Cl2N3O3S — CID 167743673

IUPACN-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1Cl
InChIInChI=1S/C13H13Cl2N3O3S/c1-8(9-5-3-4-6-10(9)14)12(19)17-22(20,21)11-7-16-13(15)18(11)2/h3-8H,1-2H3,(H,17,19)
InChIKeyVJMSNAVEUFUFGW-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.34
Rot. Bonds4

About N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide

N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide (PubChem CID 167743673) has the molecular formula C13H13Cl2N3O3S and a molecular weight of 362.24 g/mol. Its IUPAC name is N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide
PubChem CID167743673
Molecular FormulaC13H13Cl2N3O3S
Molecular Weight362.24 g/mol
Exact Mass361.01
IUPAC NameN-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1Cl
InChIInChI=1S/C13H13Cl2N3O3S/c1-8(9-5-3-4-6-10(9)14)12(19)17-22(20,21)11-7-16-13(15)18(11)2/h3-8H,1-2H3,(H,17,19)
InChIKeyVJMSNAVEUFUFGW-UHFFFAOYSA-N
XLogP2.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
CID 154869040
N-[(6-methoxy-3-pyridinyl)sulfonyl]-2-(2-methylphenyl)propanamide
CID 154869021
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9410215
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
3-(2-chlorophenyl)butanoic acid
CID 54775987
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
CID 81377048
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide?
The IUPAC name of N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide (CID 167743673) is N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide is CC(C(=O)NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1Cl.
What is the InChIKey of N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide?
The InChIKey is VJMSNAVEUFUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3S/c1-8(9-5-3-4-6-10(9)14)12(19)17-22(20,21)11-7-16-13(15)18(11)2/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide?
N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide has a molecular weight of 362.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide is sourced from PubChem (CID 167743673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).