N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

C19H20ClN3O5S — CID 19259603

IUPACN-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20ClN3O5S/c1-21(11-17(24)14-9-12(20)5-8-18(14)28-4)29(26,27)13-6-7-15-16(10-13)23(3)19(25)22(15)2/h5-10H,11H2,1-4H3
InChIKeyYBLOGPXLAPKZOR-UHFFFAOYSA-N
MW437.91 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 19259603) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID19259603
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC NameN-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20ClN3O5S/c1-21(11-17(24)14-9-12(20)5-8-18(14)28-4)29(26,27)13-6-7-15-16(10-13)23(3)19(25)22(15)2/h5-10H,11H2,1-4H3
InChIKeyYBLOGPXLAPKZOR-UHFFFAOYSA-N
XLogP2.04
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259612
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
N-[2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259607
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
CID 19259341
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20865952
(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 46617678
N-ethyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259620
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 19259603) is N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is COc1ccc(Cl)cc1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is YBLOGPXLAPKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c1-21(11-17(24)14-9-12(20)5-8-18(14)28-4)29(26,27)13-6-7-15-16(10-13)23(3)19(25)22(15)2/h5-10H,11H2,1-4H3.
What are the key properties of N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 437.91 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 19259603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).