2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide

C19H18ClF2N3O3S — CID 10151402

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide
SMILESN#Cc1ccc(CN(C(CCC(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClF2N3O3S/c20-15-5-7-16(8-6-15)29(27,28)25(17(19(24)26)9-10-18(21)22)12-14-3-1-13(11-23)2-4-14/h1-8,17-18H,9-10,12H2,(H2,24,26)
InChIKeyYHYHDJCKLMSTGV-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.30
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide

2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide (PubChem CID 10151402) has the molecular formula C19H18ClF2N3O3S and a molecular weight of 441.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide
PubChem CID10151402
Molecular FormulaC19H18ClF2N3O3S
Molecular Weight441.89 g/mol
Exact Mass441.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide
SMILESN#Cc1ccc(CN(C(CCC(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClF2N3O3S/c20-15-5-7-16(8-6-15)29(27,28)25(17(19(24)26)9-10-18(21)22)12-14-3-1-13(11-23)2-4-14/h1-8,17-18H,9-10,12H2,(H2,24,26)
InChIKeyYHYHDJCKLMSTGV-UHFFFAOYSA-N
XLogP3.30
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide (CID 10151402) is 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide is N#Cc1ccc(CN(C(CCC(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide?
The InChIKey is YHYHDJCKLMSTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3S/c20-15-5-7-16(8-6-15)29(27,28)25(17(19(24)26)9-10-18(21)22)12-14-3-1-13(11-23)2-4-14/h1-8,17-18H,9-10,12H2,(H2,24,26).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide?
2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide has a molecular weight of 441.89 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5-difluoropentanamide is sourced from PubChem (CID 10151402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).