N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide

C15H15Cl2NO3S — CID 16660952

IUPACN-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CO)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-22(20,21)18(13-7-5-11(10-19)6-8-13)9-12-3-2-4-14(16)15(12)17/h2-8,19H,9-10H2,1H3
InChIKeyPJKLOXBVBGWHDR-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.45
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide

N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 16660952) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID16660952
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CO)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-22(20,21)18(13-7-5-11(10-19)6-8-13)9-12-3-2-4-14(16)15(12)17/h2-8,19H,9-10H2,1H3
InChIKeyPJKLOXBVBGWHDR-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
CID 69193005
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 16662027
N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]formamide
CID 87726081
4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
CID 69184260
tert-butyl N-[[4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]phenyl]methyl]carbamate
CID 69181387
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-[N-formyl-2-(methylamino)anilino]ethyl]formamide
CID 87725909
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(piperidin-4-ylmethyl)formamide
CID 87726710
ethyl 4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 1281132
N-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1-methylimidazol-4-yl]phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide
CID 69492699
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide (CID 16660952) is N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CO)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is PJKLOXBVBGWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-22(20,21)18(13-7-5-11(10-19)6-8-13)9-12-3-2-4-14(16)15(12)17/h2-8,19H,9-10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 16660952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).