5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide

C14H15BrN2O6S2 — CID 4832626

IUPAC5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1Br
InChIInChI=1S/C14H15BrN2O6S2/c1-22-12-6-4-10(8-11(12)15)25(20,21)17-9-3-5-13(23-2)14(7-9)24(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19)
InChIKeyQPCKAFPODVWZQN-UHFFFAOYSA-N
MW451.32 g/mol
LogP1.91
Rot. Bonds6

About 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide

5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide (PubChem CID 4832626) has the molecular formula C14H15BrN2O6S2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
PubChem CID4832626
Molecular FormulaC14H15BrN2O6S2
Molecular Weight451.32 g/mol
Exact Mass449.96
IUPAC Name5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1Br
InChIInChI=1S/C14H15BrN2O6S2/c1-22-12-6-4-10(8-11(12)15)25(20,21)17-9-3-5-13(23-2)14(7-9)24(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19)
InChIKeyQPCKAFPODVWZQN-UHFFFAOYSA-N
XLogP1.91
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943715
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide (CID 4832626) is 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
The InChIKey is QPCKAFPODVWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O6S2/c1-22-12-6-4-10(8-11(12)15)25(20,21)17-9-3-5-13(23-2)14(7-9)24(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19).
What are the key properties of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide?
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide has a molecular weight of 451.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4832626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).