N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide

C14H14ClNO2S2 — CID 2226285

IUPACN-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-12-6-8-13(9-7-12)20(17,18)16-10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3
InChIKeyKXIRTVZQSFBSPG-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.54
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (PubChem CID 2226285) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
PubChem CID2226285
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-12-6-8-13(9-7-12)20(17,18)16-10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3
InChIKeyKXIRTVZQSFBSPG-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (CID 2226285) is N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The InChIKey is KXIRTVZQSFBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-19-12-6-8-13(9-7-12)20(17,18)16-10-11-4-2-3-5-14(11)15/h2-9,16H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide has a molecular weight of 327.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2226285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).