N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide

C21H20ClNO3S — CID 1339272

IUPACN,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20ClNO3S/c1-26-20-13-12-19(22)14-21(20)27(24,25)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyCIOVWCAAEVOHAS-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.74
Rot. Bonds7

About N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide

N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 1339272) has the molecular formula C21H20ClNO3S and a molecular weight of 401.92 g/mol. Its IUPAC name is N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
PubChem CID1339272
Molecular FormulaC21H20ClNO3S
Molecular Weight401.92 g/mol
Exact Mass401.09
IUPAC NameN,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20ClNO3S/c1-26-20-13-12-19(22)14-21(20)27(24,25)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyCIOVWCAAEVOHAS-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide 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

2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 100799319
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548851
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126393677
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide (CID 1339272) is N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is CIOVWCAAEVOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3S/c1-26-20-13-12-19(22)14-21(20)27(24,25)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3.
What are the key properties of N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide?
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 401.92 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 1339272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).