3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide

C15H15Cl2NO2S — CID 3673362

IUPAC3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-10-3-5-12(7-14(10)16)9-18-21(19,20)13-6-4-11(2)15(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyIQNDUXPEOVNXFK-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.09
Rot. Bonds4

About 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide

3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 3673362) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID3673362
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-10-3-5-12(7-14(10)16)9-18-21(19,20)13-6-4-11(2)15(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyIQNDUXPEOVNXFK-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 39655236
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
3-chloro-4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642107
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide (CID 3673362) is 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is IQNDUXPEOVNXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-10-3-5-12(7-14(10)16)9-18-21(19,20)13-6-4-11(2)15(17)8-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3673362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).