4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide

C19H19N3O4S2 — CID 998909

IUPAC4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14-6-10-16(11-7-14)27(23,24)21-18-4-3-5-19(20-18)22-28(25,26)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,20,21,22)
InChIKeyYEHXRPROGPJEEI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.30
Rot. Bonds6

About 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide

4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 998909) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID998909
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14-6-10-16(11-7-14)27(23,24)21-18-4-3-5-19(20-18)22-28(25,26)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,20,21,22)
InChIKeyYEHXRPROGPJEEI-UHFFFAOYSA-N
XLogP3.30
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide (CID 998909) is 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is YEHXRPROGPJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-14-6-10-16(11-7-14)27(23,24)21-18-4-3-5-19(20-18)22-28(25,26)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,20,21,22).
What are the key properties of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 417.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 998909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).