N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

C16H15Cl2FN2O3S — CID 46534953

IUPACN-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10-7-11(19)3-6-15(10)25(23,24)21(2)9-16(22)20-12-4-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyYEKWRASPSMRNQE-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.70
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 46534953) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID46534953
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC NameN-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10-7-11(19)3-6-15(10)25(23,24)21(2)9-16(22)20-12-4-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyYEKWRASPSMRNQE-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide
CID 1368921
N~2~-(3,4-dichlorophenyl)-N~1~-{3-[methyl(methylsulfonyl)amino]phenyl}-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2233458
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2380645
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2553649
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2700013
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}acetamide
CID 3239778

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (CID 46534953) is N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is Cc1cc(F)ccc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YEKWRASPSMRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-10-7-11(19)3-6-15(10)25(23,24)21(2)9-16(22)20-12-4-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 405.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 46534953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).