1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C20H24ClN3O5S2 — CID 30222545

IUPAC1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1cc(Cl)ccc1N(CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O5S2/c1-14-11-16(21)5-7-18(14)24(30(4,26)27)13-20(25)23-10-9-15-12-17(6-8-19(15)23)31(28,29)22(2)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyDWWPXKNGWDIVMT-UHFFFAOYSA-N
MW486.02 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 30222545) has the molecular formula C20H24ClN3O5S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID30222545
Molecular FormulaC20H24ClN3O5S2
Molecular Weight486.02 g/mol
Exact Mass485.08
IUPAC Name1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1cc(Cl)ccc1N(CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O5S2/c1-14-11-16(21)5-7-18(14)24(30(4,26)27)13-20(25)23-10-9-15-12-17(6-8-19(15)23)31(28,29)22(2)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyDWWPXKNGWDIVMT-UHFFFAOYSA-N
XLogP2.25
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43897997
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 99999439
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769570
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 30222545) is 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is Cc1cc(Cl)ccc1N(CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)S(C)(=O)=O.
What is the InChIKey of 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DWWPXKNGWDIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S2/c1-14-11-16(21)5-7-18(14)24(30(4,26)27)13-20(25)23-10-9-15-12-17(6-8-19(15)23)31(28,29)22(2)3/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 486.02 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 30222545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).