N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

C17H21NO5S — CID 25039968

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-14-4-6-17(7-5-14)24(19,20)18-9-8-13-10-15(22-2)12-16(11-13)23-3/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyQWYYGOZJFITPSZ-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.23
Rot. Bonds8

About N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide

N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 25039968) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID25039968
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-14-4-6-17(7-5-14)24(19,20)18-9-8-13-10-15(22-2)12-16(11-13)23-3/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyQWYYGOZJFITPSZ-UHFFFAOYSA-N
XLogP2.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 25039968) is N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is QWYYGOZJFITPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-21-14-4-6-17(7-5-14)24(19,20)18-9-8-13-10-15(22-2)12-16(11-13)23-3/h4-7,10-12,18H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 25039968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).