4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C18H21NO4S — CID 3697071

IUPAC4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-16-8-4-14(5-9-16)15-6-10-18(11-7-15)24(20,21)19-13-17-3-2-12-23-17/h4-11,17,19H,2-3,12-13H2,1H3
InChIKeyOGVLVIMYKUCEGD-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.82
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3697071) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3697071
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-16-8-4-14(5-9-16)15-6-10-18(11-7-15)24(20,21)19-13-17-3-2-12-23-17/h4-11,17,19H,2-3,12-13H2,1H3
InChIKeyOGVLVIMYKUCEGD-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3697071) is 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is OGVLVIMYKUCEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-16-8-4-14(5-9-16)15-6-10-18(11-7-15)24(20,21)19-13-17-3-2-12-23-17/h4-11,17,19H,2-3,12-13H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3697071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).