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

C19H26N2O6S2 — CID 3409975

IUPAC4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
SMILESCCC(CCNS(=O)(=O)c1ccc(OC)cc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O6S2/c1-4-15(21-29(24,25)19-11-7-17(27-3)8-12-19)13-14-20-28(22,23)18-9-5-16(26-2)6-10-18/h5-12,15,20-21H,4,13-14H2,1-3H3
InChIKeyUELQAAIAEYHTPK-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.13
Rot. Bonds11

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

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide (PubChem CID 3409975) has the molecular formula C19H26N2O6S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
PubChem CID3409975
Molecular FormulaC19H26N2O6S2
Molecular Weight442.56 g/mol
Exact Mass442.12
IUPAC Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
SMILESCCC(CCNS(=O)(=O)c1ccc(OC)cc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26N2O6S2/c1-4-15(21-29(24,25)19-11-7-17(27-3)8-12-19)13-14-20-28(22,23)18-9-5-16(26-2)6-10-18/h5-12,15,20-21H,4,13-14H2,1-3H3
InChIKeyUELQAAIAEYHTPK-UHFFFAOYSA-N
XLogP2.13
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011
N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
CID 62647776
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide (CID 3409975) is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide is CCC(CCNS(=O)(=O)c1ccc(OC)cc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide?
The InChIKey is UELQAAIAEYHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S2/c1-4-15(21-29(24,25)19-11-7-17(27-3)8-12-19)13-14-20-28(22,23)18-9-5-16(26-2)6-10-18/h5-12,15,20-21H,4,13-14H2,1-3H3.
What are the key properties of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide?
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide has a molecular weight of 442.56 g/mol, XLogP of 2.13, 11 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]pentyl]benzenesulfonamide is sourced from PubChem (CID 3409975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).