4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C21H20N2O3S2 — CID 31884047

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O3S2/c24-21(23-14-12-16-4-1-2-6-20(16)23)17-7-9-19(10-8-17)28(25,26)22-13-11-18-5-3-15-27-18/h1-10,15,22H,11-14H2
InChIKeyNHHUKSASKUEVQY-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.47
Rot. Bonds6

About 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 31884047) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID31884047
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O3S2/c24-21(23-14-12-16-4-1-2-6-20(16)23)17-7-9-19(10-8-17)28(25,26)22-13-11-18-5-3-15-27-18/h1-10,15,22H,11-14H2
InChIKeyNHHUKSASKUEVQY-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 119578855
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 43060346
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 31884047) is 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NHHUKSASKUEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c24-21(23-14-12-16-4-1-2-6-20(16)23)17-7-9-19(10-8-17)28(25,26)22-13-11-18-5-3-15-27-18/h1-10,15,22H,11-14H2.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 412.54 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 31884047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).