N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide

C17H23N3O3S — CID 71911311

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(CCO)C2CCc3ccccc32)[nH]1
InChIInChI=1S/C17H23N3O3S/c1-12(2)17-18-11-16(19-17)24(22,23)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,18,19)
InChIKeyOUGAFIBCZDSGCM-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 71911311) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID71911311
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(CCO)C2CCc3ccccc32)[nH]1
InChIInChI=1S/C17H23N3O3S/c1-12(2)17-18-11-16(19-17)24(22,23)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,18,19)
InChIKeyOUGAFIBCZDSGCM-UHFFFAOYSA-N
XLogP2.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 71911311) is N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide is CC(C)c1ncc(S(=O)(=O)N(CCO)C2CCc3ccccc32)[nH]1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is OUGAFIBCZDSGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)17-18-11-16(19-17)24(22,23)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71911311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).