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

C15H13Cl2N7O3S — CID 71214432

IUPAC5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCn1nnc(Cc2ncc(C(N)=O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N7O3S/c1-24-21-14(20-23-24)6-12-13(4-8(7-19-12)15(18)25)22-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,22H,6H2,1H3,(H2,18,25)
InChIKeyWAYDRBODYHSQOJ-UHFFFAOYSA-N
MW442.29 g/mol
LogP1.40
Rot. Bonds6

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

5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 71214432) has the molecular formula C15H13Cl2N7O3S and a molecular weight of 442.29 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID71214432
Molecular FormulaC15H13Cl2N7O3S
Molecular Weight442.29 g/mol
Exact Mass441.02
IUPAC Name5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCn1nnc(Cc2ncc(C(N)=O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H13Cl2N7O3S/c1-24-21-14(20-23-24)6-12-13(4-8(7-19-12)15(18)25)22-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,22H,6H2,1H3,(H2,18,25)
InChIKeyWAYDRBODYHSQOJ-UHFFFAOYSA-N
XLogP1.40
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide (CID 71214432) is 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide is Cn1nnc(Cc2ncc(C(N)=O)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WAYDRBODYHSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N7O3S/c1-24-21-14(20-23-24)6-12-13(4-8(7-19-12)15(18)25)22-28(26,27)9-2-3-10(16)11(17)5-9/h2-5,7,22H,6H2,1H3,(H2,18,25).
What are the key properties of 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide?
5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 442.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)sulfonylamino]-6-[(2-methyltetrazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71214432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).