N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide

C22H23ClN4O3S — CID 146576594

IUPACN-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C22H23ClN4O3S/c1-5-31(29,30)25-18-10-11-20(24-17-8-6-16(23)7-9-17)19(13-18)15-12-21(26(2)3)22(28)27(4)14-15/h5-14,24-25H,1H2,2-4H3
InChIKeyIWBSSDCCPQPWCI-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.40
Rot. Bonds7

About N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide

N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide (PubChem CID 146576594) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
PubChem CID146576594
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C22H23ClN4O3S/c1-5-31(29,30)25-18-10-11-20(24-17-8-6-16(23)7-9-17)19(13-18)15-12-21(26(2)3)22(28)27(4)14-15/h5-14,24-25H,1H2,2-4H3
InChIKeyIWBSSDCCPQPWCI-UHFFFAOYSA-N
XLogP4.40
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The IUPAC name of N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide (CID 146576594) is N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The canonical SMILES for N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The InChIKey is IWBSSDCCPQPWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-5-31(29,30)25-18-10-11-20(24-17-8-6-16(23)7-9-17)19(13-18)15-12-21(26(2)3)22(28)27(4)14-15/h5-14,24-25H,1H2,2-4H3.
What are the key properties of N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide has a molecular weight of 458.97 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 146576594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).