N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide

C23H23FN2O3S2 — CID 55607385

IUPACN,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN2O3S2/c1-3-25(4-2)31(28,29)17-9-10-20-16(15-17)13-14-26(20)23(27)22-12-11-21(30-22)18-7-5-6-8-19(18)24/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyBMOHFXSYYRWFDR-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.79
Rot. Bonds6

About N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55607385) has the molecular formula C23H23FN2O3S2 and a molecular weight of 458.58 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55607385
Molecular FormulaC23H23FN2O3S2
Molecular Weight458.58 g/mol
Exact Mass458.11
IUPAC NameN,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN2O3S2/c1-3-25(4-2)31(28,29)17-9-10-20-16(15-17)13-14-26(20)23(27)22-12-11-21(30-22)18-7-5-6-8-19(18)24/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyBMOHFXSYYRWFDR-UHFFFAOYSA-N
XLogP4.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765269
N,N-diethyl-1-(2-propan-2-ylsulfonylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 55667997
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
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-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide (CID 55607385) is N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BMOHFXSYYRWFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S2/c1-3-25(4-2)31(28,29)17-9-10-20-16(15-17)13-14-26(20)23(27)22-12-11-21(30-22)18-7-5-6-8-19(18)24/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 458.58 g/mol, XLogP of 4.79, 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-[5-(2-fluorophenyl)thiophene-2-carbonyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55607385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).