N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

C13H15ClN4O3S — CID 71879584

IUPACN-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H15ClN4O3S/c1-9-10(14)4-3-5-11(9)17-12(19)6-16-22(20,21)13-7-18(2)8-15-13/h3-5,7-8,16H,6H2,1-2H3,(H,17,19)
InChIKeyWGWNQOLVSIDWJM-UHFFFAOYSA-N
MW342.81 g/mol
LogP1.30
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (PubChem CID 71879584) has the molecular formula C13H15ClN4O3S and a molecular weight of 342.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
PubChem CID71879584
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.81 g/mol
Exact Mass342.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H15ClN4O3S/c1-9-10(14)4-3-5-11(9)17-12(19)6-16-22(20,21)13-7-18(2)8-15-13/h3-5,7-8,16H,6H2,1-2H3,(H,17,19)
InChIKeyWGWNQOLVSIDWJM-UHFFFAOYSA-N
XLogP1.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (CID 71879584) is N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is Cc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The InChIKey is WGWNQOLVSIDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S/c1-9-10(14)4-3-5-11(9)17-12(19)6-16-22(20,21)13-7-18(2)8-15-13/h3-5,7-8,16H,6H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide has a molecular weight of 342.81 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 71879584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).