ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate

C17H16Cl2N6O4S — CID 71214430

IUPACethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cc2nnn(C)n2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N6O4S/c1-3-29-17(26)10-6-15(14(20-9-10)8-16-21-24-25(2)22-16)23-30(27,28)11-4-5-12(18)13(19)7-11/h4-7,9,23H,3,8H2,1-2H3
InChIKeyYOHNALLHTAHPQL-UHFFFAOYSA-N
MW471.33 g/mol
LogP2.48
Rot. Bonds7

About ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate

ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate (PubChem CID 71214430) has the molecular formula C17H16Cl2N6O4S and a molecular weight of 471.33 g/mol. Its IUPAC name is ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate
PubChem CID71214430
Molecular FormulaC17H16Cl2N6O4S
Molecular Weight471.33 g/mol
Exact Mass470.03
IUPAC Nameethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cc2nnn(C)n2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N6O4S/c1-3-29-17(26)10-6-15(14(20-9-10)8-16-21-24-25(2)22-16)23-30(27,28)11-4-5-12(18)13(19)7-11/h4-7,9,23H,3,8H2,1-2H3
InChIKeyYOHNALLHTAHPQL-UHFFFAOYSA-N
XLogP2.48
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide
CID 71214432
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-methyl-1,3-dihydrotetrazol-3-ium-5-yl)methyl]pyridine-3-carboxylic acid
CID 143399795
5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
CID 53056875
3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59485472
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate
CID 127267091
4-[(3-chloro-2-ethoxyphenyl)sulfamoyl]benzamide
CID 60578962
ethyl 1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 2808548
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate (CID 71214430) is ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate is CCOC(=O)c1cnc(Cc2nnn(C)n2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate?
The InChIKey is YOHNALLHTAHPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O4S/c1-3-29-17(26)10-6-15(14(20-9-10)8-16-21-24-25(2)22-16)23-30(27,28)11-4-5-12(18)13(19)7-11/h4-7,9,23H,3,8H2,1-2H3.
What are the key properties of ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate?
ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate has a molecular weight of 471.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 71214430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).