1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C19H21ClN2O3S2 — CID 99999439

IUPAC1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21ClN2O3S2/c1-13(26-16-6-4-15(20)5-7-16)19(23)22-11-10-14-12-17(8-9-18(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeyCVYMFTIVPFMQHN-ZDUSSCGKSA-N
MW424.98 g/mol
LogP3.66
Rot. Bonds5

About 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 99999439) has the molecular formula C19H21ClN2O3S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID99999439
Molecular FormulaC19H21ClN2O3S2
Molecular Weight424.98 g/mol
Exact Mass424.07
IUPAC Name1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H21ClN2O3S2/c1-13(26-16-6-4-15(20)5-7-16)19(23)22-11-10-14-12-17(8-9-18(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1
InChIKeyCVYMFTIVPFMQHN-ZDUSSCGKSA-N
XLogP3.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55871446
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769570
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 99999439) is 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CVYMFTIVPFMQHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O3S2/c1-13(26-16-6-4-15(20)5-7-16)19(23)22-11-10-14-12-17(8-9-18(14)22)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 424.98 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 99999439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).