2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide

C18H23NO4S — CID 3855527

IUPAC2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO4S/c1-14(9-10-15-7-5-4-6-8-15)19-24(20,21)18-13-16(22-2)11-12-17(18)23-3/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeyVSEWYMYBTLWBNQ-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.00
Rot. Bonds8

About 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide

2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 3855527) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID3855527
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO4S/c1-14(9-10-15-7-5-4-6-8-15)19-24(20,21)18-13-16(22-2)11-12-17(18)23-3/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeyVSEWYMYBTLWBNQ-UHFFFAOYSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6457913
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
3,4-Dimethoxy-N-phenethyl-benzenesulfonamide
CID 740562
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 3855527) is 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is VSEWYMYBTLWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14(9-10-15-7-5-4-6-8-15)19-24(20,21)18-13-16(22-2)11-12-17(18)23-3/h4-8,11-14,19H,9-10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide?
2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3855527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).