4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide

C19H23NO4S2 — CID 90604736

IUPAC4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO4S2/c1-23-16-7-9-18(10-8-16)26(21,22)20-15-19(11-13-24-14-12-19)25-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeyLFWQCHHBXKSBJE-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.32
Rot. Bonds7

About 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide

4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 90604736) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID90604736
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC Name4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO4S2/c1-23-16-7-9-18(10-8-16)26(21,22)20-15-19(11-13-24-14-12-19)25-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeyLFWQCHHBXKSBJE-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide
CID 90523303
N-[(4-phenylsulfanyloxan-4-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 90604751
2,3,5,6-tetramethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90523306
2,4-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90604731
1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide
CID 90604724
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
4-(dimethylamino)-N-[(4-ethylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 86807764

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide (CID 90604736) is 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is LFWQCHHBXKSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-23-16-7-9-18(10-8-16)26(21,22)20-15-19(11-13-24-14-12-19)25-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3.
What are the key properties of 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90604736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).