2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

C15H16N2O5S2 — CID 42644137

IUPAC2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H16N2O5S2/c1-22-14-8-4-2-6-12(14)10-11-23(18,19)17-13-7-3-5-9-15(13)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+
InChIKeyKXXOPFAJQXWSPI-ZHACJKMWSA-N
MW368.44 g/mol
LogP1.76
Rot. Bonds6

About 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42644137) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42644137
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H16N2O5S2/c1-22-14-8-4-2-6-12(14)10-11-23(18,19)17-13-7-3-5-9-15(13)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+
InChIKeyKXXOPFAJQXWSPI-ZHACJKMWSA-N
XLogP1.76
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
(E)-N-(2-Methoxyphenyl)-2-phenylethenesulfonamide
CID 786405
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
2-methoxy-5-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 934797
N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935345
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012
4-methoxy-3-methyl-N-[4-(1-piperidinylsulfonyl)phenyl]benzenesulfonamide
CID 1303250

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (CID 42644137) is 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is COc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is KXXOPFAJQXWSPI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-22-14-8-4-2-6-12(14)10-11-23(18,19)17-13-7-3-5-9-15(13)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+.
What are the key properties of 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 368.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42644137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).