4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide

C18H21NO4S — CID 139532546

IUPAC4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15(20)7-6-14-19(16-8-4-3-5-9-16)24(21,22)18-12-10-17(23-2)11-13-18/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyISYRJZLXTPGGDU-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.26
Rot. Bonds8

About 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide

4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide (PubChem CID 139532546) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide
PubChem CID139532546
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15(20)7-6-14-19(16-8-4-3-5-9-16)24(21,22)18-12-10-17(23-2)11-13-18/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyISYRJZLXTPGGDU-UHFFFAOYSA-N
XLogP3.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
CaMKII inhibitor BSA-9
CID 139532554
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-Methoxy-N-[4-(piperidine-1-sulfonyl)-phenyl]-benzenesulfonamide
CID 652426
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 2771918
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
CID 362726
N-(4-Methoxy-phenyl)-N-thietan-3-yl-benzenesulfonamide
CID 649687
4-Methoxy-N-{3-[4-(o-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42388975

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide (CID 139532546) is 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(C)=O)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide?
The InChIKey is ISYRJZLXTPGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-15(20)7-6-14-19(16-8-4-3-5-9-16)24(21,22)18-12-10-17(23-2)11-13-18/h3-5,8-13H,6-7,14H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide?
4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).