2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide

C19H21ClN4O4S — CID 19259341

IUPAC2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H21ClN4O4S/c1-21(2)18(25)12-24(14-7-5-6-13(20)10-14)29(27,28)15-8-9-16-17(11-15)23(4)19(26)22(16)3/h5-11H,12H2,1-4H3
InChIKeyJNMFOHSZYSZSIC-UHFFFAOYSA-N
MW436.92 g/mol
LogP1.81
Rot. Bonds5

About 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide

2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide (PubChem CID 19259341) has the molecular formula C19H21ClN4O4S and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
PubChem CID19259341
Molecular FormulaC19H21ClN4O4S
Molecular Weight436.92 g/mol
Exact Mass436.10
IUPAC Name2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H21ClN4O4S/c1-21(2)18(25)12-24(14-7-5-6-13(20)10-14)29(27,28)15-8-9-16-17(11-15)23(4)19(26)22(16)3/h5-11H,12H2,1-4H3
InChIKeyJNMFOHSZYSZSIC-UHFFFAOYSA-N
XLogP1.81
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
CID 19260298
1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide
CID 19259371
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259603
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 46764464
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
ethyl 4-[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]piperazine-1-carboxylate
CID 2899671
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
2-(3-chloro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid
CID 100515862

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide (CID 19259341) is 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is JNMFOHSZYSZSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4S/c1-21(2)18(25)12-24(14-7-5-6-13(20)10-14)29(27,28)15-8-9-16-17(11-15)23(4)19(26)22(16)3/h5-11H,12H2,1-4H3.
What are the key properties of 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide?
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 436.92 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 19259341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).