1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

C24H18F2N4O3S — CID 135236233

IUPAC1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(F)(F)c4cccc(C#N)c4)c3)c2c1
InChIInChI=1S/C24H18F2N4O3S/c1-34(32,33)29-19-9-8-16-11-22(23(28)31)30(21(16)13-19)20-7-3-6-18(12-20)24(25,26)17-5-2-4-15(10-17)14-27/h2-13,29H,1H3,(H2,28,31)
InChIKeyLNZPZRXQWYLDBP-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (PubChem CID 135236233) has the molecular formula C24H18F2N4O3S and a molecular weight of 480.50 g/mol. Its IUPAC name is 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
PubChem CID135236233
Molecular FormulaC24H18F2N4O3S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(F)(F)c4cccc(C#N)c4)c3)c2c1
InChIInChI=1S/C24H18F2N4O3S/c1-34(32,33)29-19-9-8-16-11-22(23(28)31)30(21(16)13-19)20-7-3-6-18(12-20)24(25,26)17-5-2-4-15(10-17)14-27/h2-13,29H,1H3,(H2,28,31)
InChIKeyLNZPZRXQWYLDBP-UHFFFAOYSA-N
XLogP4.11
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The IUPAC name of 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (CID 135236233) is 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.
What is the SMILES notation for 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The canonical SMILES for 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is CS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(F)(F)c4cccc(C#N)c4)c3)c2c1.
What is the InChIKey of 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The InChIKey is LNZPZRXQWYLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3S/c1-34(32,33)29-19-9-8-16-11-22(23(28)31)30(21(16)13-19)20-7-3-6-18(12-20)24(25,26)17-5-2-4-15(10-17)14-27/h2-13,29H,1H3,(H2,28,31).
What are the key properties of 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is sourced from PubChem (CID 135236233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).