N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide

C11H15N3O4S — CID 22434010

IUPACN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O4S/c1-13-8-5-7(12-19(4,16)17)10(18-3)6-9(8)14(2)11(13)15/h5-6,12H,1-4H3
InChIKeyIJRFNSUCSFHMCE-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.26
Rot. Bonds3

About N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide

N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide (PubChem CID 22434010) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
PubChem CID22434010
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O4S/c1-13-8-5-7(12-19(4,16)17)10(18-3)6-9(8)14(2)11(13)15/h5-6,12H,1-4H3
InChIKeyIJRFNSUCSFHMCE-UHFFFAOYSA-N
XLogP0.26
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514
5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one
CID 56912575
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(6-butylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 50772642
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
N-(6-methoxy-4-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-7-yl)methanesulfonamide
CID 6462002
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-methoxy-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 752226
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
CID 53092178

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide (CID 22434010) is N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide is COc1cc2c(cc1NS(C)(=O)=O)n(C)c(=O)n2C.
What is the InChIKey of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The InChIKey is IJRFNSUCSFHMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-13-8-5-7(12-19(4,16)17)10(18-3)6-9(8)14(2)11(13)15/h5-6,12H,1-4H3.
What are the key properties of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 22434010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).