(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide

C20H19N2O6S2- — CID 4749902

IUPAC(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
SMILESCOc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H19N2O6S2/c1-27-17-6-10-19(11-7-17)29(23,24)21-15-4-3-5-16(14-15)22-30(25,26)20-12-8-18(28-2)9-13-20/h3-14,21H,1-2H3/q-1
InChIKeyYVUWMXHXPZOQQO-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.90
Rot. Bonds8

About (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide

(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide (PubChem CID 4749902) has the molecular formula C20H19N2O6S2- and a molecular weight of 447.51 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
PubChem CID4749902
Molecular FormulaC20H19N2O6S2-
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC Name(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
SMILESCOc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H19N2O6S2/c1-27-17-6-10-19(11-7-17)29(23,24)21-15-4-3-5-16(14-15)22-30(25,26)20-12-8-18(28-2)9-13-20/h3-14,21H,1-2H3/q-1
InChIKeyYVUWMXHXPZOQQO-UHFFFAOYSA-N
XLogP3.90
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
lithium benzenesulfonyl-(3-methoxyphenyl)azanide
CID 135051821
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650343
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 8603434
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide?
The IUPAC name of (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide (CID 4749902) is (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide?
The canonical SMILES for (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide is COc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide?
The InChIKey is YVUWMXHXPZOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O6S2/c1-27-17-6-10-19(11-7-17)29(23,24)21-15-4-3-5-16(14-15)22-30(25,26)20-12-8-18(28-2)9-13-20/h3-14,21H,1-2H3/q-1.
What are the key properties of (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide?
(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide has a molecular weight of 447.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide is sourced from PubChem (CID 4749902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).