6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide

C26H24F3N3O4S — CID 135236200

IUPAC6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide
SMILESCC(C)(c1cccc(OC(F)(F)F)c1)c1cccc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C26H24F3N3O4S/c1-25(2,18-7-5-9-21(14-18)36-26(27,28)29)17-6-4-8-20(13-17)32-22-15-19(31-37(3,34)35)11-10-16(22)12-23(32)24(30)33/h4-15,31H,1-3H3,(H2,30,33)
InChIKeyWJBKNWPAAGTXQR-UHFFFAOYSA-N
MW531.56 g/mol
LogP5.33
Rot. Bonds7

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

6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide (PubChem CID 135236200) has the molecular formula C26H24F3N3O4S and a molecular weight of 531.56 g/mol. Its IUPAC name is 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide
PubChem CID135236200
Molecular FormulaC26H24F3N3O4S
Molecular Weight531.56 g/mol
Exact Mass531.14
IUPAC Name6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide
SMILESCC(C)(c1cccc(OC(F)(F)F)c1)c1cccc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C26H24F3N3O4S/c1-25(2,18-7-5-9-21(14-18)36-26(27,28)29)17-6-4-8-20(13-17)32-22-15-19(31-37(3,34)35)11-10-16(22)12-23(32)24(30)33/h4-15,31H,1-3H3,(H2,30,33)
InChIKeyWJBKNWPAAGTXQR-UHFFFAOYSA-N
XLogP5.33
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.56
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-bromo-5-[2-[3-(difluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
CID 135236145
1-[3-[(3-cyanophenyl)-difluoromethyl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide
CID 135236233
1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide
CID 135236248
[2-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-2,2-difluoroethyl] methanesulfinate
CID 170751341
3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-2,2-dimethylpropanoic acid
CID 170751275
tert-butyl 3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]propanoate
CID 170751429
trans-methyl (1R,2R)-2-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]cyclopropane-1-carboxylate
CID 170751465
methyl (3R)-3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170751238
2-[1-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]cyclopropyl]acetic acid
CID 170751354
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
1-[3-[(1S)-1-amino-2-carboxyethyl]phenyl]-6-(trifluoromethoxy)indole-2-carboxylic acid
CID 170751205
1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide
CID 170751260

Frequently Asked Questions

What is the IUPAC name of 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide?
The IUPAC name of 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide (CID 135236200) is 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide.
What is the SMILES notation for 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide?
The canonical SMILES for 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide is CC(C)(c1cccc(OC(F)(F)F)c1)c1cccc(-n2c(C(N)=O)cc3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide?
The InChIKey is WJBKNWPAAGTXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O4S/c1-25(2,18-7-5-9-21(14-18)36-26(27,28)29)17-6-4-8-20(13-17)32-22-15-19(31-37(3,34)35)11-10-16(22)12-23(32)24(30)33/h4-15,31H,1-3H3,(H2,30,33).
What are the key properties of 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide?
6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide is sourced from PubChem (CID 135236200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).