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

C16H17N3O3S — CID 27210910

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)17-23(21,22)11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyHSMRBLJFHQIOGA-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.82
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide (PubChem CID 27210910) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
PubChem CID27210910
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)17-23(21,22)11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyHSMRBLJFHQIOGA-UHFFFAOYSA-N
XLogP1.82
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide (CID 27210910) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3ccccc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is HSMRBLJFHQIOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18-14-9-8-13(10-15(14)19(2)16(18)20)17-23(21,22)11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 27210910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).