1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide

C18H19ClN4O3S — CID 25325004

IUPAC1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C18H19ClN4O3S/c19-13-1-3-15-17(10-13)23(7-8-24)18(21-15)11-22-6-5-12-9-14(27(20,25)26)2-4-16(12)22/h1-4,9-10,24H,5-8,11H2,(H2,20,25,26)
InChIKeyGPSXMRZQAXPNTP-UHFFFAOYSA-N
MW406.90 g/mol
LogP1.89
Rot. Bonds5

About 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide

1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 25325004) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID25325004
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C18H19ClN4O3S/c19-13-1-3-15-17(10-13)23(7-8-24)18(21-15)11-22-6-5-12-9-14(27(20,25)26)2-4-16(12)22/h1-4,9-10,24H,5-8,11H2,(H2,20,25,26)
InChIKeyGPSXMRZQAXPNTP-UHFFFAOYSA-N
XLogP1.89
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide (CID 25325004) is 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccc(Cl)cc2n1CCO.
What is the InChIKey of 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GPSXMRZQAXPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c19-13-1-3-15-17(10-13)23(7-8-24)18(21-15)11-22-6-5-12-9-14(27(20,25)26)2-4-16(12)22/h1-4,9-10,24H,5-8,11H2,(H2,20,25,26).
What are the key properties of 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide?
1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 406.90 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 25325004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).