4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide

C18H17NO4S2 — CID 20658521

IUPAC4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sccc2-c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H17NO4S2/c1-22-16-8-5-13(11-17(16)23-2)18-15(9-10-24-18)12-3-6-14(7-4-12)25(19,20)21/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyUMHWSXQNFAKZTC-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.75
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide

4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 20658521) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
PubChem CID20658521
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sccc2-c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C18H17NO4S2/c1-22-16-8-5-13(11-17(16)23-2)18-15(9-10-24-18)12-3-6-14(7-4-12)25(19,20)21/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyUMHWSXQNFAKZTC-UHFFFAOYSA-N
XLogP3.75
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118692692
CID 118692692
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenol
CID 44814549
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 44814730
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
3-butyl-2-(3,4-dimethoxyphenyl)thiophene
CID 25132177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide (CID 20658521) is 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide is COc1ccc(-c2sccc2-c2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is UMHWSXQNFAKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c1-22-16-8-5-13(11-17(16)23-2)18-15(9-10-24-18)12-3-6-14(7-4-12)25(19,20)21/h3-11H,1-2H3,(H2,19,20,21).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide?
4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 375.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 20658521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).