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

C14H12Cl2N6O2S — CID 15985853

IUPAC4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N6O2S/c1-22-14(18-20-21-22)7-12-13(6-10(16)8-17-12)19-25(23,24)11-4-2-9(15)3-5-11/h2-6,8,19H,7H2,1H3
InChIKeyYBNKYDYFGWSOJH-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.30
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide

4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 15985853) has the molecular formula C14H12Cl2N6O2S and a molecular weight of 399.26 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
PubChem CID15985853
Molecular FormulaC14H12Cl2N6O2S
Molecular Weight399.26 g/mol
Exact Mass398.01
IUPAC Name4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N6O2S/c1-22-14(18-20-21-22)7-12-13(6-10(16)8-17-12)19-25(23,24)11-4-2-9(15)3-5-11/h2-6,8,19H,7H2,1H3
InChIKeyYBNKYDYFGWSOJH-UHFFFAOYSA-N
XLogP2.30
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (CID 15985853) is 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is YBNKYDYFGWSOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N6O2S/c1-22-14(18-20-21-22)7-12-13(6-10(16)8-17-12)19-25(23,24)11-4-2-9(15)3-5-11/h2-6,8,19H,7H2,1H3.
What are the key properties of 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 399.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15985853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).