4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide

C20H20N2O6S2 — CID 1027647

IUPAC4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H20N2O6S2/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/h3-14,21-22H,1-2H3
InChIKeyDIVNJCISTBBBBN-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.31
Rot. Bonds8

About 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 1027647) has the molecular formula C20H20N2O6S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID1027647
Molecular FormulaC20H20N2O6S2
Molecular Weight448.52 g/mol
Exact Mass448.08
IUPAC Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H20N2O6S2/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/h3-14,21-22H,1-2H3
InChIKeyDIVNJCISTBBBBN-UHFFFAOYSA-N
XLogP3.31
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
4-Methoxy-N-[4-(piperidine-1-sulfonyl)-phenyl]-benzenesulfonamide
CID 652426
N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide
CID 3720867
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
N-(4-phenoxyphenyl)benzenesulfonamide
CID 2348480
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 341399

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 1027647) is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is DIVNJCISTBBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S2/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/h3-14,21-22H,1-2H3.
What are the key properties of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 448.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 1027647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).