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

C15H14ClN5O2S — CID 60532054

IUPAC5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C15H14ClN5O2S/c1-10-6-7-12(16)8-15(10)24(22,23)18-13-4-3-5-14(9-13)21-11(2)17-19-20-21/h3-9,18H,1-2H3
InChIKeyIJMQPLMSCBZIQY-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.73
Rot. Bonds4

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

5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 60532054) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID60532054
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C15H14ClN5O2S/c1-10-6-7-12(16)8-15(10)24(22,23)18-13-4-3-5-14(9-13)21-11(2)17-19-20-21/h3-9,18H,1-2H3
InChIKeyIJMQPLMSCBZIQY-UHFFFAOYSA-N
XLogP2.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide (CID 60532054) is 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is IJMQPLMSCBZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-10-6-7-12(16)8-15(10)24(22,23)18-13-4-3-5-14(9-13)21-11(2)17-19-20-21/h3-9,18H,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 60532054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).