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

C16H17Cl2NO3S — CID 139969429

IUPACN-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-12-2-5-14(6-3-12)23(20,21)19-8-9-22-11-13-4-7-15(17)16(18)10-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyQJLDCGBNKJPTPP-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.80
Rot. Bonds7

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

N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide (PubChem CID 139969429) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
PubChem CID139969429
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC NameN-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-12-2-5-14(6-3-12)23(20,21)19-8-9-22-11-13-4-7-15(17)16(18)10-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyQJLDCGBNKJPTPP-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
CID 139969449
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]benzenesulfonamide
CID 10532319
2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
CID 101414812
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide (CID 139969429) is N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is QJLDCGBNKJPTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-12-2-5-14(6-3-12)23(20,21)19-8-9-22-11-13-4-7-15(17)16(18)10-13/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide?
N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139969429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).