N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide

C15H12ClN7O2S — CID 15985854

IUPACN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H12ClN7O2S/c1-23-15(19-21-22-23)7-13-14(6-11(16)9-18-13)20-26(24,25)12-4-2-3-10(5-12)8-17/h2-6,9,20H,7H2,1H3
InChIKeyBAOMUJZGVLVQIZ-UHFFFAOYSA-N
MW389.83 g/mol
LogP1.52
Rot. Bonds5

About N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide

N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide (PubChem CID 15985854) has the molecular formula C15H12ClN7O2S and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide
PubChem CID15985854
Molecular FormulaC15H12ClN7O2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC NameN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H12ClN7O2S/c1-23-15(19-21-22-23)7-13-14(6-11(16)9-18-13)20-26(24,25)12-4-2-3-10(5-12)8-17/h2-6,9,20H,7H2,1H3
InChIKeyBAOMUJZGVLVQIZ-UHFFFAOYSA-N
XLogP1.52
TPSA126.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide (CID 15985854) is N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide is Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide?
The InChIKey is BAOMUJZGVLVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7O2S/c1-23-15(19-21-22-23)7-13-14(6-11(16)9-18-13)20-26(24,25)12-4-2-3-10(5-12)8-17/h2-6,9,20H,7H2,1H3.
What are the key properties of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide?
N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide has a molecular weight of 389.83 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 15985854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).