5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid

C19H24ClN3O5S — CID 53024633

IUPAC5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C19H24ClN3O5S/c1-4-8-23(9-5-2)18-15(19(24)25)10-13(12-21-18)22-29(26,27)14-6-7-17(28-3)16(20)11-14/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,24,25)
InChIKeyXVBYOGCHUONVBJ-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.87
Rot. Bonds10

About 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid

5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid (PubChem CID 53024633) has the molecular formula C19H24ClN3O5S and a molecular weight of 441.94 g/mol. Its IUPAC name is 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
PubChem CID53024633
Molecular FormulaC19H24ClN3O5S
Molecular Weight441.94 g/mol
Exact Mass441.11
IUPAC Name5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C19H24ClN3O5S/c1-4-8-23(9-5-2)18-15(19(24)25)10-13(12-21-18)22-29(26,27)14-6-7-17(28-3)16(20)11-14/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,24,25)
InChIKeyXVBYOGCHUONVBJ-UHFFFAOYSA-N
XLogP3.87
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53056657
2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024537
2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054482
5-[(3,5-dimethylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054498
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113010810
2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766551
2-[2-(dimethylamino)ethyl-ethylamino]-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054565
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid (CID 53024633) is 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid is CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The InChIKey is XVBYOGCHUONVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S/c1-4-8-23(9-5-2)18-15(19(24)25)10-13(12-21-18)22-29(26,27)14-6-7-17(28-3)16(20)11-14/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,24,25).
What are the key properties of 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid has a molecular weight of 441.94 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 53024633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).