4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide

C16H17Cl2NO3S — CID 113102776

IUPAC4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c1-11-9-13(3-5-15(11)17)22-8-7-19-23(20,21)14-4-6-16(18)12(2)10-14/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyZDBVPTQJGUBUGY-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide

4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide (PubChem CID 113102776) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
PubChem CID113102776
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c1-11-9-13(3-5-15(11)17)22-8-7-19-23(20,21)14-4-6-16(18)12(2)10-14/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyZDBVPTQJGUBUGY-UHFFFAOYSA-N
XLogP3.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
4-chloro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066039
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene
CID 15591978
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide (CID 113102776) is 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide is Cc1cc(OCCNS(=O)(=O)c2ccc(Cl)c(C)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is ZDBVPTQJGUBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-11-9-13(3-5-15(11)17)22-8-7-19-23(20,21)14-4-6-16(18)12(2)10-14/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide?
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113102776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).