N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

C19H24ClNO4S — CID 122457492

IUPACN-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
SMILESCOC(CN(Cc1ccc(C)cc1Cl)S(=O)(=O)c1ccc(C)cc1)OC
InChIInChI=1S/C19H24ClNO4S/c1-14-6-9-17(10-7-14)26(22,23)21(13-19(24-3)25-4)12-16-8-5-15(2)11-18(16)20/h5-11,19H,12-13H2,1-4H3
InChIKeyDBCWEMQACXCGSI-UHFFFAOYSA-N
MW397.92 g/mol
LogP3.77
Rot. Bonds8

About N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (PubChem CID 122457492) has the molecular formula C19H24ClNO4S and a molecular weight of 397.92 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
PubChem CID122457492
Molecular FormulaC19H24ClNO4S
Molecular Weight397.92 g/mol
Exact Mass397.11
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
SMILESCOC(CN(Cc1ccc(C)cc1Cl)S(=O)(=O)c1ccc(C)cc1)OC
InChIInChI=1S/C19H24ClNO4S/c1-14-6-9-17(10-7-14)26(22,23)21(13-19(24-3)25-4)12-16-8-5-15(2)11-18(16)20/h5-11,19H,12-13H2,1-4H3
InChIKeyDBCWEMQACXCGSI-UHFFFAOYSA-N
XLogP3.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-chloro-6-fluoroisoquinoline;N-[(2-chloro-4-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
CID 159550981
N-(2,2-dimethoxyethyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 10983024
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
CID 58466455
N-(2,2-dimethoxyethyl)-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 138976845
N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 170331880
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
N-(2,2-dipropoxyethyl)-N-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 54215134
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100793374
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872067
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-diethoxyethyl)-4-methylbenzenesulfonamide
CID 4346

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (CID 122457492) is N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide is COC(CN(Cc1ccc(C)cc1Cl)S(=O)(=O)c1ccc(C)cc1)OC.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is DBCWEMQACXCGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4S/c1-14-6-9-17(10-7-14)26(22,23)21(13-19(24-3)25-4)12-16-8-5-15(2)11-18(16)20/h5-11,19H,12-13H2,1-4H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide?
N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 397.92 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 122457492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).