N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide

C17H19N3O4S — CID 35279941

IUPACN-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCn1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C17H19N3O4S/c1-4-20-14-8-6-5-7-13(14)18-17(20)19-25(21,22)12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyGIPSKCPBHASSRA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.87
Rot. Bonds6

About N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 35279941) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID35279941
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCn1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C17H19N3O4S/c1-4-20-14-8-6-5-7-13(14)18-17(20)19-25(21,22)12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyGIPSKCPBHASSRA-UHFFFAOYSA-N
XLogP2.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide (CID 35279941) is N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide is CCn1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is GIPSKCPBHASSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-20-14-8-6-5-7-13(14)18-17(20)19-25(21,22)12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 35279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).