N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide

C14H13Cl2NO2S2 — CID 2968432

IUPACN-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(15)8-14(10)16/h2-8,17H,9H2,1H3
InChIKeySYTPUYXPXBWBNQ-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.19
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (PubChem CID 2968432) has the molecular formula C14H13Cl2NO2S2 and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
PubChem CID2968432
Molecular FormulaC14H13Cl2NO2S2
Molecular Weight362.30 g/mol
Exact Mass360.98
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(15)8-14(10)16/h2-8,17H,9H2,1H3
InChIKeySYTPUYXPXBWBNQ-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
N-(2-chlorobenzyl)-4-(methylthio)benzenesulfonamide
CID 2226285
N-benzyl-4-methylsulfanylbenzenesulfonamide
CID 967740
4-({[(4-Chlorobenzyl)sulfonyl]amino}methyl)benzenesulfonamide
CID 2974096
N-(4-chlorobenzyl)-4-(methylthio)benzenesulfonamide
CID 973513
N-benzyl-2-chloro-5-(methylsulfonyl)benzenesulfonamide
CID 990984
N-(4-Chloro-benzyl)-benzenesulfonamide
CID 706752
(4-Chlorophenyl)(3-methanesulfonylphenyl)methanamine
CID 24689196
N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide
CID 2806168
N-(2-chlorobenzyl)benzenesulfonamide
CID 808172
N-(4-chlorobenzyl)-4-methylbenzenesulfonamide
CID 854999
N-(2-Chlorobenzyl)-p-toluenesulfonamide
CID 2164867

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (CID 2968432) is N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The InChIKey is SYTPUYXPXBWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S2/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(15)8-14(10)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide has a molecular weight of 362.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2968432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).