N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide

C16H17N3O3S2 — CID 5305977

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3S2/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
InChIKeyKIJONFRTARCKGP-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.40
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 5305977) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide
PubChem CID5305977
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3S2/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
InChIKeyKIJONFRTARCKGP-UHFFFAOYSA-N
XLogP2.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(phenylsulfanyl)acetamide
CID 6461251
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
CID 3918464
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 49190366
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 49190451
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 648539
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 6459094
2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-
CID 424755

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide (CID 5305977) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is KIJONFRTARCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 5305977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).