5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid

C14H13Cl2N3O4S — CID 53056875

IUPAC5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O4S/c1-19(2)13-12(5-8(7-17-13)14(20)21)18-24(22,23)9-3-4-10(15)11(16)6-9/h3-7,18H,1-2H3,(H,20,21)
InChIKeyMUYMVUAJDUQOEG-UHFFFAOYSA-N
MW390.25 g/mol
LogP2.95
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid

5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid (PubChem CID 53056875) has the molecular formula C14H13Cl2N3O4S and a molecular weight of 390.25 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
PubChem CID53056875
Molecular FormulaC14H13Cl2N3O4S
Molecular Weight390.25 g/mol
Exact Mass389.00
IUPAC Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O4S/c1-19(2)13-12(5-8(7-17-13)14(20)21)18-24(22,23)9-3-4-10(15)11(16)6-9/h3-7,18H,1-2H3,(H,20,21)
InChIKeyMUYMVUAJDUQOEG-UHFFFAOYSA-N
XLogP2.95
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-5-yl)methyl]pyridine-3-carboxylic acid
CID 143399796
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195
5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid
CID 143399795
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883
6-[bis(2-methylpropyl)amino]-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004833
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59485472
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
3-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292378
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid (CID 53056875) is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid is CN(C)c1ncc(C(=O)O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid?
The InChIKey is MUYMVUAJDUQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S/c1-19(2)13-12(5-8(7-17-13)14(20)21)18-24(22,23)9-3-4-10(15)11(16)6-9/h3-7,18H,1-2H3,(H,20,21).
What are the key properties of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid?
5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid has a molecular weight of 390.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).