5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide

C13H12Cl2N2O5S3 — CID 20691743

IUPAC5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1cc(O)c(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O5S3/c1-24(19,20)17-9-5-10(18)13(25(16,21)22)6-12(9)23-11-3-2-7(14)4-8(11)15/h2-6,17-18H,1H3,(H2,16,21,22)
InChIKeyLWMKRXDORLYNEA-UHFFFAOYSA-N
MW443.36 g/mol
LogP2.87
Rot. Bonds5

About 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide

5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 20691743) has the molecular formula C13H12Cl2N2O5S3 and a molecular weight of 443.36 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide
PubChem CID20691743
Molecular FormulaC13H12Cl2N2O5S3
Molecular Weight443.36 g/mol
Exact Mass441.93
IUPAC Name5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1cc(O)c(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O5S3/c1-24(19,20)17-9-5-10(18)13(25(16,21)22)6-12(9)23-11-3-2-7(14)4-8(11)15/h2-6,17-18H,1H3,(H2,16,21,22)
InChIKeyLWMKRXDORLYNEA-UHFFFAOYSA-N
XLogP2.87
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dichlorophenyl)sulfanyl-4-(propylsulfonylamino)benzenesulfonamide
CID 23221654
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
CID 10221717
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
CID 10089576
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137
N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
CID 58029497
5-chloro-2-(methylamino)benzenesulfonamide
CID 44590431
2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
CID 54505726
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41153767
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide (CID 20691743) is 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1cc(O)c(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is LWMKRXDORLYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O5S3/c1-24(19,20)17-9-5-10(18)13(25(16,21)22)6-12(9)23-11-3-2-7(14)4-8(11)15/h2-6,17-18H,1H3,(H2,16,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide?
5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 443.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 20691743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).