4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide

C17H21NO3S — CID 2915782

IUPAC4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14(8-9-15-6-4-3-5-7-15)18-22(19,20)17-12-10-16(21-2)11-13-17/h3-7,10-14,18H,8-9H2,1-2H3
InChIKeyMUXLZZHKKCQKBL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.99
Rot. Bonds7

About 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 2915782) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID2915782
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14(8-9-15-6-4-3-5-7-15)18-22(19,20)17-12-10-16(21-2)11-13-17/h3-7,10-14,18H,8-9H2,1-2H3
InChIKeyMUXLZZHKKCQKBL-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 2915782) is 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is MUXLZZHKKCQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14(8-9-15-6-4-3-5-7-15)18-22(19,20)17-12-10-16(21-2)11-13-17/h3-7,10-14,18H,8-9H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2915782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).