4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide

C20H24FN3O2S — CID 168940784

IUPAC4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H24FN3O2S/c1-5-24(6-2)20-10-9-16(27(25,26)23(3)4)13-17(20)19-11-14-7-8-15(21)12-18(14)22-19/h7-13,22H,5-6H2,1-4H3
InChIKeyPPLANLNKNVMAMN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.07
Rot. Bonds6

About 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide

4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 168940784) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID168940784
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H24FN3O2S/c1-5-24(6-2)20-10-9-16(27(25,26)23(3)4)13-17(20)19-11-14-7-8-15(21)12-18(14)22-19/h7-13,22H,5-6H2,1-4H3
InChIKeyPPLANLNKNVMAMN-UHFFFAOYSA-N
XLogP4.07
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide
CID 168941024
6-(diethylamino)-5-(1H-indol-2-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 168940545
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
2-amino-N,N-dimethyl-1H-indole-6-sulfonamide
CID 90823817
ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
CID 168941261
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
3-(3-chloro-6,7-dihydro-1H-indol-2-yl)-4-fluoro-N,N-dimethylbenzenesulfonamide;propane
CID 168940312
2-[4-(2-fluorophenyl)cyclohexa-1,3-dien-1-yl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 70962446

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide (CID 168940784) is 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is PPLANLNKNVMAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-5-24(6-2)20-10-9-16(27(25,26)23(3)4)13-17(20)19-11-14-7-8-15(21)12-18(14)22-19/h7-13,22H,5-6H2,1-4H3.
What are the key properties of 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide?
4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 168940784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).