N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide

C21H24N6O3S — CID 55633412

IUPACN,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H24N6O3S/c1-3-25(4-2)31(29,30)19-9-10-20-17(14-19)11-12-26(20)21(28)13-16-5-7-18(8-6-16)27-15-22-23-24-27/h5-10,14-15H,3-4,11-13H2,1-2H3
InChIKeyCZXNNLAXNJIBQF-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.82
Rot. Bonds7

About N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55633412) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55633412
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC NameN,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H24N6O3S/c1-3-25(4-2)31(29,30)19-9-10-20-17(14-19)11-12-26(20)21(28)13-16-5-7-18(8-6-16)27-15-22-23-24-27/h5-10,14-15H,3-4,11-13H2,1-2H3
InChIKeyCZXNNLAXNJIBQF-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513326
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
1-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 55759920
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 78873057

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55633412) is N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CZXNNLAXNJIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-3-25(4-2)31(29,30)19-9-10-20-17(14-19)11-12-26(20)21(28)13-16-5-7-18(8-6-16)27-15-22-23-24-27/h5-10,14-15H,3-4,11-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 440.53 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).