4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide

C19H24N4O2S — CID 168941024

IUPAC4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccncc2[nH]1
InChIInChI=1S/C19H24N4O2S/c1-5-23(6-2)19-8-7-15(26(24,25)22(3)4)12-16(19)17-11-14-9-10-20-13-18(14)21-17/h7-13,21H,5-6H2,1-4H3
InChIKeyNCYJAJYHMRZIRJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.33
Rot. Bonds6

About 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide

4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide (PubChem CID 168941024) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide
PubChem CID168941024
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccncc2[nH]1
InChIInChI=1S/C19H24N4O2S/c1-5-23(6-2)19-8-7-15(26(24,25)22(3)4)12-16(19)17-11-14-9-10-20-13-18(14)21-17/h7-13,21H,5-6H2,1-4H3
InChIKeyNCYJAJYHMRZIRJ-UHFFFAOYSA-N
XLogP3.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-3-(6-fluoro-1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
CID 168940784
6-(diethylamino)-5-(1H-indol-2-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 168940545
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
CID 168941261
2-amino-N,N-dimethyl-1H-indole-6-sulfonamide
CID 90823817
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(1H-indol-2-yl)-N,N-dimethylbenzenesulfonamide
CID 168941189
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
CID 139226947
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline
CID 146253131

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide (CID 168941024) is 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1-c1cc2ccncc2[nH]1.
What is the InChIKey of 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide?
The InChIKey is NCYJAJYHMRZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-5-23(6-2)19-8-7-15(26(24,25)22(3)4)12-16(19)17-11-14-9-10-20-13-18(14)21-17/h7-13,21H,5-6H2,1-4H3.
What are the key properties of 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide?
4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N,N-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 168941024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).