4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C18H13N3O3S3 — CID 21081352

IUPAC4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13N3O3S3/c22-27(23,21-18-19-17(20-26-18)16-7-4-12-25-16)15-10-8-14(9-11-15)24-13-5-2-1-3-6-13/h1-12H,(H,19,20,21)
InChIKeyBWLKIFFSFUHAKC-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.86
Rot. Bonds6

About 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081352) has the molecular formula C18H13N3O3S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081352
Molecular FormulaC18H13N3O3S3
Molecular Weight415.52 g/mol
Exact Mass415.01
IUPAC Name4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13N3O3S3/c22-27(23,21-18-19-17(20-26-18)16-7-4-12-25-16)15-10-8-14(9-11-15)24-13-5-2-1-3-6-13/h1-12H,(H,19,20,21)
InChIKeyBWLKIFFSFUHAKC-UHFFFAOYSA-N
XLogP4.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081391
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081312
1-(4-phenoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25046100
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
CID 65268420
N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22027898
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide
CID 90626747
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 18266905
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081352) is 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is BWLKIFFSFUHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S3/c22-27(23,21-18-19-17(20-26-18)16-7-4-12-25-16)15-10-8-14(9-11-15)24-13-5-2-1-3-6-13/h1-12H,(H,19,20,21).
What are the key properties of 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).