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

C20H20N4O3S — CID 5330834

IUPAC4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-24(2)28(26,27)16-10-8-15(9-11-16)22-18-13-12-17(20(21)23-18)19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H3,21,22,23)
InChIKeyMFSHKDFBOXWXRZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.89
Rot. Bonds6

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

4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 5330834) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID5330834
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-24(2)28(26,27)16-10-8-15(9-11-16)22-18-13-12-17(20(21)23-18)19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H3,21,22,23)
InChIKeyMFSHKDFBOXWXRZ-UHFFFAOYSA-N
XLogP2.89
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.89
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-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide (CID 5330834) is 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)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-dimethylbenzenesulfonamide?
The InChIKey is MFSHKDFBOXWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-24(2)28(26,27)16-10-8-15(9-11-16)22-18-13-12-17(20(21)23-18)19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H3,21,22,23).
What are the key properties of 4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(6-amino-5-benzoyl-2-pyridinyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.89, 6 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-dimethylbenzenesulfonamide is sourced from PubChem (CID 5330834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).