N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide

C15H13Cl2NO4S — CID 10339350

IUPACN-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-6-13(18-23(2,20)21)15(7-10)22-14-8-11(16)4-5-12(14)17/h3-8,18H,1-2H3
InChIKeyKNSDPHAPJVPIJA-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.36
Rot. Bonds5

About N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide

N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide (PubChem CID 10339350) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
PubChem CID10339350
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC NameN-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-6-13(18-23(2,20)21)15(7-10)22-14-8-11(16)4-5-12(14)17/h3-8,18H,1-2H3
InChIKeyKNSDPHAPJVPIJA-UHFFFAOYSA-N
XLogP4.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 10246598
1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
CID 63533407
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
CID 18171169
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(5-acetyl-2-chlorophenoxy)boronic acid
CID 142734077
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
CID 10089576
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide (CID 10339350) is N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide?
The InChIKey is KNSDPHAPJVPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-6-13(18-23(2,20)21)15(7-10)22-14-8-11(16)4-5-12(14)17/h3-8,18H,1-2H3.
What are the key properties of N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide?
N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide has a molecular weight of 374.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 10339350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).