N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide

C14H13Cl2NO4S — CID 1294812

IUPACN-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO4S/c1-20-12-3-4-13(21-2)14(8-12)22(18,19)17-11-6-9(15)5-10(16)7-11/h3-8,17H,1-2H3
InChIKeyKZKQNWDNCWRVDO-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.81
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide

N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 1294812) has the molecular formula C14H13Cl2NO4S and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID1294812
Molecular FormulaC14H13Cl2NO4S
Molecular Weight362.23 g/mol
Exact Mass360.99
IUPAC NameN-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO4S/c1-20-12-3-4-13(21-2)14(8-12)22(18,19)17-11-6-9(15)5-10(16)7-11/h3-8,17H,1-2H3
InChIKeyKZKQNWDNCWRVDO-UHFFFAOYSA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 1294812) is N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KZKQNWDNCWRVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO4S/c1-20-12-3-4-13(21-2)14(8-12)22(18,19)17-11-6-9(15)5-10(16)7-11/h3-8,17H,1-2H3.
What are the key properties of N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 362.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1294812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).