5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid

C15H15Cl2N6O4S+ — CID 143399795

IUPAC5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCN1NC(Cc2ncc(C(=O)O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)=N[NH2+]1
InChIInChI=1S/C15H14Cl2N6O4S/c1-23-20-14(19-22-23)6-12-13(4-8(7-18-12)15(24)25)21-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,21-22H,6H2,1H3,(H,19,20)(H,24,25)/p+1
InChIKeyHOOPQCSVVDHVKB-UHFFFAOYSA-O
MW446.30 g/mol
LogP0.67
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid

5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 143399795) has the molecular formula C15H15Cl2N6O4S+ and a molecular weight of 446.30 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid
PubChem CID143399795
Molecular FormulaC15H15Cl2N6O4S+
Molecular Weight446.30 g/mol
Exact Mass445.02
IUPAC Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCN1NC(Cc2ncc(C(=O)O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)=N[NH2+]1
InChIInChI=1S/C15H14Cl2N6O4S/c1-23-20-14(19-22-23)6-12-13(4-8(7-18-12)15(24)25)21-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,21-22H,6H2,1H3,(H,19,20)(H,24,25)/p+1
InChIKeyHOOPQCSVVDHVKB-UHFFFAOYSA-O
XLogP0.67
TPSA140.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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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
5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide
CID 71214432
5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
CID 53056875
ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate
CID 71214430
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59485472
3-[(3,4-dichlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292378
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid (CID 143399795) is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid is CN1NC(Cc2ncc(C(=O)O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)=N[NH2+]1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is HOOPQCSVVDHVKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14Cl2N6O4S/c1-23-20-14(19-22-23)6-12-13(4-8(7-18-12)15(24)25)21-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,21-22H,6H2,1H3,(H,19,20)(H,24,25)/p+1.
What are the key properties of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid?
5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 446.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 143399795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).