4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H17ClF2N4O3S2 — CID 71717518

IUPAC4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C19H17ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-2,7-11,23H,3-6H2,(H,24,25,26)
InChIKeyOXEWGNFIZBXHQP-UHFFFAOYSA-N
MW486.95 g/mol
LogP4.53
Rot. Bonds6

About 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71717518) has the molecular formula C19H17ClF2N4O3S2 and a molecular weight of 486.95 g/mol. Its IUPAC name is 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71717518
Molecular FormulaC19H17ClF2N4O3S2
Molecular Weight486.95 g/mol
Exact Mass486.04
IUPAC Name4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C19H17ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-2,7-11,23H,3-6H2,(H,24,25,26)
InChIKeyOXEWGNFIZBXHQP-UHFFFAOYSA-N
XLogP4.53
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.95
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71717518) is 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F.
What is the InChIKey of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is OXEWGNFIZBXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O3S2/c20-12-1-2-16(13(7-12)11-3-5-23-6-4-11)29-17-8-15(22)18(9-14(17)21)31(27,28)26-19-24-10-25-30-19/h1-2,7-11,23H,3-6H2,(H,24,25,26).
What are the key properties of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 486.95 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71717518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).