N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide

C24H19N3O2S — CID 44567313

IUPACN-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H19N3O2S/c28-30(29,24-12-6-10-19-9-4-5-11-21(19)24)26-20-13-14-23-22(15-20)25-17-27(23)16-18-7-2-1-3-8-18/h1-15,17,26H,16H2
InChIKeyCHIUGYYZRLVVDZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.04
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide

N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 44567313) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide
PubChem CID44567313
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H19N3O2S/c28-30(29,24-12-6-10-19-9-4-5-11-21(19)24)26-20-13-14-23-22(15-20)25-17-27(23)16-18-7-2-1-3-8-18/h1-15,17,26H,16H2
InChIKeyCHIUGYYZRLVVDZ-UHFFFAOYSA-N
XLogP5.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide (CID 44567313) is N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is CHIUGYYZRLVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-30(29,24-12-6-10-19-9-4-5-11-21(19)24)26-20-13-14-23-22(15-20)25-17-27(23)16-18-7-2-1-3-8-18/h1-15,17,26H,16H2.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide?
N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 44567313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).