1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C23H31N3O3S — CID 112800385

IUPAC1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1
InChIInChI=1S/C23H31N3O3S/c1-5-24(6-2)20-11-9-18(10-12-20)23(27)26-16-15-19-17-21(13-14-22(19)26)30(28,29)25(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3
InChIKeyPIZIORZEVSTEPL-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.77
Rot. Bonds8

About 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 112800385) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID112800385
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1
InChIInChI=1S/C23H31N3O3S/c1-5-24(6-2)20-11-9-18(10-12-20)23(27)26-16-15-19-17-21(13-14-22(19)26)30(28,29)25(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3
InChIKeyPIZIORZEVSTEPL-UHFFFAOYSA-N
XLogP3.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 47084013
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
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
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N,N-diethyl-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 55438539
1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 112800385) is 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1.
What is the InChIKey of 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PIZIORZEVSTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-5-24(6-2)20-11-9-18(10-12-20)23(27)26-16-15-19-17-21(13-14-22(19)26)30(28,29)25(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 112800385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).