N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide

C14H13Cl2NO2S — CID 3369728

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-10-3-2-4-13(7-10)20(18,19)17-9-11-5-6-12(15)8-14(11)16/h2-8,17H,9H2,1H3
InChIKeyBAZDASYQUHWTAB-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.78
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide

N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3369728) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID3369728
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-10-3-2-4-13(7-10)20(18,19)17-9-11-5-6-12(15)8-14(11)16/h2-8,17H,9H2,1H3
InChIKeyBAZDASYQUHWTAB-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
4-[(tert-butylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 59768464

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide (CID 3369728) is N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is BAZDASYQUHWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-10-3-2-4-13(7-10)20(18,19)17-9-11-5-6-12(15)8-14(11)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide?
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3369728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).