3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide

C15H11Cl2N7O2S — CID 15985852

IUPAC3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnc(Cc2ncc(C#N)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H11Cl2N7O2S/c1-24-21-15(20-23-24)6-13-14(4-9(7-18)8-19-13)22-27(25,26)10-2-3-11(16)12(17)5-10/h2-5,8,22H,6H2,1H3
InChIKeyCKOUDMHZNIKOFQ-UHFFFAOYSA-N
MW424.27 g/mol
LogP2.18
Rot. Bonds5

About 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide

3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 15985852) has the molecular formula C15H11Cl2N7O2S and a molecular weight of 424.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
PubChem CID15985852
Molecular FormulaC15H11Cl2N7O2S
Molecular Weight424.27 g/mol
Exact Mass423.01
IUPAC Name3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnc(Cc2ncc(C#N)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H11Cl2N7O2S/c1-24-21-15(20-23-24)6-13-14(4-9(7-18)8-19-13)22-27(25,26)10-2-3-11(16)12(17)5-10/h2-5,8,22H,6H2,1H3
InChIKeyCKOUDMHZNIKOFQ-UHFFFAOYSA-N
XLogP2.18
TPSA126.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (CID 15985852) is 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is Cn1nnc(Cc2ncc(C#N)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is CKOUDMHZNIKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N7O2S/c1-24-21-15(20-23-24)6-13-14(4-9(7-18)8-19-13)22-27(25,26)10-2-3-11(16)12(17)5-10/h2-5,8,22H,6H2,1H3.
What are the key properties of 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 424.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15985852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).