N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

C17H19N3O3S — CID 5300967

IUPACN,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-12-10-14-15(19(3)17(21)18(14)2)11-16(12)24(22,23)20(4)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyGWEISKMVMZEFNH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.01
Rot. Bonds3

About N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide

N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (PubChem CID 5300967) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
PubChem CID5300967
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-12-10-14-15(19(3)17(21)18(14)2)11-16(12)24(22,23)20(4)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyGWEISKMVMZEFNH-UHFFFAOYSA-N
XLogP2.01
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The IUPAC name of N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide (CID 5300967) is N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The canonical SMILES for N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
The InChIKey is GWEISKMVMZEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-10-14-15(19(3)17(21)18(14)2)11-16(12)24(22,23)20(4)13-8-6-5-7-9-13/h5-11H,1-4H3.
What are the key properties of N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide?
N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 5300967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).