1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide

C20H25N5O4S2 — CID 34913173

IUPAC1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
SMILESCCn1c(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H25N5O4S2/c1-4-25-19-8-6-16(31(28,29)23(2)3)12-17(19)22-20(25)13-24-10-9-14-11-15(30(21,26)27)5-7-18(14)24/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,21,26,27)
InChIKeyJGYHRXYJOFZHSV-UHFFFAOYSA-N
MW463.59 g/mol
LogP1.52
Rot. Bonds6

About 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide

1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide (PubChem CID 34913173) has the molecular formula C20H25N5O4S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
PubChem CID34913173
Molecular FormulaC20H25N5O4S2
Molecular Weight463.59 g/mol
Exact Mass463.13
IUPAC Name1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
SMILESCCn1c(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H25N5O4S2/c1-4-25-19-8-6-16(31(28,29)23(2)3)12-17(19)22-20(25)13-24-10-9-14-11-15(30(21,26)27)5-7-18(14)24/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,21,26,27)
InChIKeyJGYHRXYJOFZHSV-UHFFFAOYSA-N
XLogP1.52
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N,N-dimethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 112801352
2-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 16597923
1-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 25325004
1-ethyl-N,N-dimethyl-2-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 56574630
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 30235638
2-[(2,6-dichlorophenoxy)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 24684736
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839
2-[[1-adamantylmethyl(methyl)amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 26570647
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 30635465
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
1-ethyl-N,N-dimethyl-2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzimidazole-5-sulfonamide
CID 31475449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide (CID 34913173) is 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide is CCn1c(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide?
The InChIKey is JGYHRXYJOFZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S2/c1-4-25-19-8-6-16(31(28,29)23(2)3)12-17(19)22-20(25)13-24-10-9-14-11-15(30(21,26)27)5-7-18(14)24/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,21,26,27).
What are the key properties of 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide?
1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide has a molecular weight of 463.59 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 34913173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).