5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide

C18H16ClNO4S2 — CID 8519502

IUPAC5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2OC)cc1
InChIInChI=1S/C18H16ClNO4S2/c1-23-14-6-3-12(4-7-14)15-11-13(5-8-16(15)24-2)20-26(21,22)18-10-9-17(19)25-18/h3-11,20H,1-2H3
InChIKeySPTXDSXGVYABPG-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.89
Rot. Bonds6

About 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide (PubChem CID 8519502) has the molecular formula C18H16ClNO4S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
PubChem CID8519502
Molecular FormulaC18H16ClNO4S2
Molecular Weight409.92 g/mol
Exact Mass409.02
IUPAC Name5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2OC)cc1
InChIInChI=1S/C18H16ClNO4S2/c1-23-14-6-3-12(4-7-14)15-11-13(5-8-16(15)24-2)20-26(21,22)18-10-9-17(19)25-18/h3-11,20H,1-2H3
InChIKeySPTXDSXGVYABPG-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519490
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987490
5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5217515
5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide
CID 59375183
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 52712862
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide (CID 8519502) is 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide is COc1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is SPTXDSXGVYABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S2/c1-23-14-6-3-12(4-7-14)15-11-13(5-8-16(15)24-2)20-26(21,22)18-10-9-17(19)25-18/h3-11,20H,1-2H3.
What are the key properties of 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 409.92 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8519502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).