1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

C26H24BrF2N3O4S — CID 135236145

IUPAC1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCC(C)(c1cccc(OC(F)F)c1)c1cc(Br)cc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C26H24BrF2N3O4S/c1-26(2,16-5-4-6-21(12-16)36-25(28)29)17-10-18(27)13-20(11-17)32-22-14-19(31-37(3,34)35)8-7-15(22)9-23(32)24(30)33/h4-14,25,31H,1-3H3,(H2,30,33)
InChIKeyZTLCSQWOXIHTDS-UHFFFAOYSA-N
MW592.46 g/mol
LogP5.79
Rot. Bonds8

About 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (PubChem CID 135236145) has the molecular formula C26H24BrF2N3O4S and a molecular weight of 592.46 g/mol. Its IUPAC name is 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.

Molecular Properties

Compound Name1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
PubChem CID135236145
Molecular FormulaC26H24BrF2N3O4S
Molecular Weight592.46 g/mol
Exact Mass591.06
IUPAC Name1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
SMILESCC(C)(c1cccc(OC(F)F)c1)c1cc(Br)cc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C26H24BrF2N3O4S/c1-26(2,16-5-4-6-21(12-16)36-25(28)29)17-10-18(27)13-20(11-17)32-22-14-19(31-37(3,34)35)8-7-15(22)9-23(32)24(30)33/h4-14,25,31H,1-3H3,(H2,30,33)
InChIKeyZTLCSQWOXIHTDS-UHFFFAOYSA-N
XLogP5.79
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.46
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The IUPAC name of 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide (CID 135236145) is 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide.
What is the SMILES notation for 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The canonical SMILES for 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is CC(C)(c1cccc(OC(F)F)c1)c1cc(Br)cc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
The InChIKey is ZTLCSQWOXIHTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrF2N3O4S/c1-26(2,16-5-4-6-21(12-16)36-25(28)29)17-10-18(27)13-20(11-17)32-22-14-19(31-37(3,34)35)8-7-15(22)9-23(32)24(30)33/h4-14,25,31H,1-3H3,(H2,30,33).
What are the key properties of 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide?
1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide has a molecular weight of 592.46 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide is sourced from PubChem (CID 135236145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).