N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

C20H24N2O4S — CID 46636161

IUPACN,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-21(5-2)27(24,25)18-10-11-19-16(14-18)12-13-22(19)20(23)15-6-8-17(26-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyRLVWEAQCYWTDOI-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.93
Rot. Bonds6

About N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 46636161) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID46636161
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-21(5-2)27(24,25)18-10-11-19-16(14-18)12-13-22(19)20(23)15-6-8-17(26-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyRLVWEAQCYWTDOI-UHFFFAOYSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
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-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 47084013
N,N-diethyl-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55871446
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
1-(4,5-dimethoxy-2-nitrobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636156
N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100795678

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (CID 46636161) is N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RLVWEAQCYWTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-21(5-2)27(24,25)18-10-11-19-16(14-18)12-13-22(19)20(23)15-6-8-17(26-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46636161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).