N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C18H19N3O3S — CID 49190466

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc21
InChIInChI=1S/C18H19N3O3S/c1-20-16-9-7-14(11-17(16)21(2)18(20)22)19-25(23,24)15-8-6-12-4-3-5-13(12)10-15/h6-11,19H,3-5H2,1-2H3
InChIKeyWRXNNTALAJMHKU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.17
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 49190466) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID49190466
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc21
InChIInChI=1S/C18H19N3O3S/c1-20-16-9-7-14(11-17(16)21(2)18(20)22)19-25(23,24)15-8-6-12-4-3-5-13(12)10-15/h6-11,19H,3-5H2,1-2H3
InChIKeyWRXNNTALAJMHKU-UHFFFAOYSA-N
XLogP2.17
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.17
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)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 49190466) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is WRXNNTALAJMHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-20-16-9-7-14(11-17(16)21(2)18(20)22)19-25(23,24)15-8-6-12-4-3-5-13(12)10-15/h6-11,19H,3-5H2,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.17, 3 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)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 49190466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).