6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide

C23H19F3N4O3S — CID 121283669

IUPAC6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C23H19F3N4O3S/c1-27-34(32,33)30-17-10-9-15-12-21(29-20(15)13-17)22(31)28-16-6-4-5-14(11-16)18-7-2-3-8-19(18)23(24,25)26/h2-13,27,29-30H,1H3,(H,28,31)
InChIKeyWZAMMXZSAUCMRQ-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.98
Rot. Bonds6

About 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide

6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 121283669) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide
PubChem CID121283669
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC Name6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C23H19F3N4O3S/c1-27-34(32,33)30-17-10-9-15-12-21(29-20(15)13-17)22(31)28-16-6-4-5-14(11-16)18-7-2-3-8-19(18)23(24,25)26/h2-13,27,29-30H,1H3,(H,28,31)
InChIKeyWZAMMXZSAUCMRQ-UHFFFAOYSA-N
XLogP4.98
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide
CID 121283549
[methyl-[2-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]carbamoyl]-1H-indol-6-yl]amino] hydrogen sulfite
CID 174905768
N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
CID 86762816
N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
CID 86762817
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
4-[[5-[3-[[3-[2-[(4-sulfophenyl)carbamoyl]-1H-indol-5-yl]phenyl]carbamoylamino]phenyl]-1H-indole-2-carbonyl]amino]benzenesulfonic acid
CID 5312132
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
CID 56593308
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
6-nitro-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-benzothiazole-2-carboxamide
CID 121283635
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680

Frequently Asked Questions

What is the IUPAC name of 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide (CID 121283669) is 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide is CNS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is WZAMMXZSAUCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-27-34(32,33)30-17-10-9-15-12-21(29-20(15)13-17)22(31)28-16-6-4-5-14(11-16)18-7-2-3-8-19(18)23(24,25)26/h2-13,27,29-30H,1H3,(H,28,31).
What are the key properties of 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide?
6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 121283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).