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

C15H12Cl3N5O2S — CID 71214710

IUPAC3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3N5O2S/c1-23-15(19-21-22-23)6-9-2-3-10(16)7-14(9)20-26(24,25)11-4-5-12(17)13(18)8-11/h2-5,7-8,20H,6H2,1H3
InChIKeyDLTXTHJGLDWETN-UHFFFAOYSA-N
MW432.72 g/mol
LogP3.56
Rot. Bonds5

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

3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 71214710) has the molecular formula C15H12Cl3N5O2S and a molecular weight of 432.72 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide
PubChem CID71214710
Molecular FormulaC15H12Cl3N5O2S
Molecular Weight432.72 g/mol
Exact Mass430.98
IUPAC Name3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3N5O2S/c1-23-15(19-21-22-23)6-9-2-3-10(16)7-14(9)20-26(24,25)11-4-5-12(17)13(18)8-11/h2-5,7-8,20H,6H2,1H3
InChIKeyDLTXTHJGLDWETN-UHFFFAOYSA-N
XLogP3.56
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide (CID 71214710) is 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide is Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is DLTXTHJGLDWETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N5O2S/c1-23-15(19-21-22-23)6-9-2-3-10(16)7-14(9)20-26(24,25)11-4-5-12(17)13(18)8-11/h2-5,7-8,20H,6H2,1H3.
What are the key properties of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide?
3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 432.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71214710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).