6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C18H19Cl2N5O2S — CID 58561189

IUPAC6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C18H19Cl2N5O2S/c1-11-18(12(2)25(3)23-11)24-28(26,27)14-5-7-17(22-10-14)21-9-13-4-6-15(19)16(20)8-13/h4-8,10,24H,9H2,1-3H3,(H,21,22)
InChIKeyCKOKQZNBEPNFAW-UHFFFAOYSA-N
MW440.36 g/mol
LogP4.15
Rot. Bonds6

About 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561189) has the molecular formula C18H19Cl2N5O2S and a molecular weight of 440.36 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561189
Molecular FormulaC18H19Cl2N5O2S
Molecular Weight440.36 g/mol
Exact Mass439.06
IUPAC Name6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C18H19Cl2N5O2S/c1-11-18(12(2)25(3)23-11)24-28(26,27)14-5-7-17(22-10-14)21-9-13-4-6-15(19)16(20)8-13/h4-8,10,24H,9H2,1-3H3,(H,21,22)
InChIKeyCKOKQZNBEPNFAW-UHFFFAOYSA-N
XLogP4.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-morpholin-4-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57402324
N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62145254
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22772007
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
CID 127617014
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 112806919
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561189) is 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is CKOKQZNBEPNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O2S/c1-11-18(12(2)25(3)23-11)24-28(26,27)14-5-7-17(22-10-14)21-9-13-4-6-15(19)16(20)8-13/h4-8,10,24H,9H2,1-3H3,(H,21,22).
What are the key properties of 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 440.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).