N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide

C25H24Cl2N2O5S2 — CID 91179800

IUPACN-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(S(=O)(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24Cl2N2O5S2/c1-5-35(30,31)29-22-19-14-18(15-10-12-16(26)13-11-15)21(17-8-6-7-9-20(17)27)28-23(19)34-24(22)36(32,33)25(2,3)4/h6-14,29H,5H2,1-4H3
InChIKeyHUZCMCTUEDOYGB-UHFFFAOYSA-N
MW567.52 g/mol
LogP6.80
Rot. Bonds6

About N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide

N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide (PubChem CID 91179800) has the molecular formula C25H24Cl2N2O5S2 and a molecular weight of 567.52 g/mol. Its IUPAC name is N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide
PubChem CID91179800
Molecular FormulaC25H24Cl2N2O5S2
Molecular Weight567.52 g/mol
Exact Mass566.05
IUPAC NameN-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(S(=O)(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24Cl2N2O5S2/c1-5-35(30,31)29-22-19-14-18(15-10-12-16(26)13-11-15)21(17-8-6-7-9-20(17)27)28-23(19)34-24(22)36(32,33)25(2,3)4/h6-14,29H,5H2,1-4H3
InChIKeyHUZCMCTUEDOYGB-UHFFFAOYSA-N
XLogP6.80
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.52
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide?
The IUPAC name of N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide (CID 91179800) is N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1c(S(=O)(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide?
The InChIKey is HUZCMCTUEDOYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5S2/c1-5-35(30,31)29-22-19-14-18(15-10-12-16(26)13-11-15)21(17-8-6-7-9-20(17)27)28-23(19)34-24(22)36(32,33)25(2,3)4/h6-14,29H,5H2,1-4H3.
What are the key properties of N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide?
N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide has a molecular weight of 567.52 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfonyl-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-3-yl]ethanesulfonamide is sourced from PubChem (CID 91179800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).