2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide

C20H21N3O4S2 — CID 92646116

IUPAC2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N3O4S2/c1-14-11-15(2)20(16(3)12-14)29(26,27)22-17-6-8-19(9-7-17)28(24,25)23-18-5-4-10-21-13-18/h4-13,22-23H,1-3H3
InChIKeyYWSIQEFETPTZNN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.61
Rot. Bonds6

About 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 92646116) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID92646116
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N3O4S2/c1-14-11-15(2)20(16(3)12-14)29(26,27)22-17-6-8-19(9-7-17)28(24,25)23-18-5-4-10-21-13-18/h4-13,22-23H,1-3H3
InChIKeyYWSIQEFETPTZNN-UHFFFAOYSA-N
XLogP3.61
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52941468

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide (CID 92646116) is 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is YWSIQEFETPTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-14-11-15(2)20(16(3)12-14)29(26,27)22-17-6-8-19(9-7-17)28(24,25)23-18-5-4-10-21-13-18/h4-13,22-23H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 92646116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).