5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide

C13H12Cl2N2O5S2 — CID 4826414

IUPAC5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H12Cl2N2O5S2/c1-22-11-5-3-9(7-13(11)23(16,18)19)17-24(20,21)12-6-8(14)2-4-10(12)15/h2-7,17H,1H3,(H2,16,18,19)
InChIKeyQMZIOFAKXTVLCE-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.45
Rot. Bonds5

About 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide

5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide (PubChem CID 4826414) has the molecular formula C13H12Cl2N2O5S2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
PubChem CID4826414
Molecular FormulaC13H12Cl2N2O5S2
Molecular Weight411.29 g/mol
Exact Mass409.96
IUPAC Name5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H12Cl2N2O5S2/c1-22-11-5-3-9(7-13(11)23(16,18)19)17-24(20,21)12-6-8(14)2-4-10(12)15/h2-7,17H,1H3,(H2,16,18,19)
InChIKeyQMZIOFAKXTVLCE-UHFFFAOYSA-N
XLogP2.45
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide (CID 4826414) is 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The InChIKey is QMZIOFAKXTVLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O5S2/c1-22-11-5-3-9(7-13(11)23(16,18)19)17-24(20,21)12-6-8(14)2-4-10(12)15/h2-7,17H,1H3,(H2,16,18,19).
What are the key properties of 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide has a molecular weight of 411.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4826414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).