N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide

C17H15N3O3S2 — CID 21081374

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(C2CC2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O3S2/c21-25(22,20-17-18-16(19-24-17)12-6-7-12)15-10-8-14(9-11-15)23-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19,20)
InChIKeyFDNJCBGPJOIUSM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.01
Rot. Bonds6

About N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081374) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081374
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(C2CC2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15N3O3S2/c21-25(22,20-17-18-16(19-24-17)12-6-7-12)15-10-8-14(9-11-15)23-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19,20)
InChIKeyFDNJCBGPJOIUSM-UHFFFAOYSA-N
XLogP4.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081374) is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1nc(C2CC2)ns1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is FDNJCBGPJOIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-25(22,20-17-18-16(19-24-17)12-6-7-12)15-10-8-14(9-11-15)23-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,18,19,20).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 373.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).