4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide

C22H24N4O3S — CID 5330835

IUPAC4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C22H24N4O3S/c1-3-26(4-2)30(28,29)18-12-10-17(11-13-18)24-20-15-14-19(22(23)25-20)21(27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H3,23,24,25)
InChIKeyWTSCQEQAVHQMII-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.67
Rot. Bonds8

About 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide

4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide (PubChem CID 5330835) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide
PubChem CID5330835
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C22H24N4O3S/c1-3-26(4-2)30(28,29)18-12-10-17(11-13-18)24-20-15-14-19(22(23)25-20)21(27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H3,23,24,25)
InChIKeyWTSCQEQAVHQMII-UHFFFAOYSA-N
XLogP3.67
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide (CID 5330835) is 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1.
What is the InChIKey of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide?
The InChIKey is WTSCQEQAVHQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-26(4-2)30(28,29)18-12-10-17(11-13-18)24-20-15-14-19(22(23)25-20)21(27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H3,23,24,25).
What are the key properties of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide?
4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 5330835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).