5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide

C18H15F3N2O3S — CID 21316564

IUPAC5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(C(=O)c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2)c2ccccc2n1C
InChIInChI=1S/C18H15F3N2O3S/c1-10-16(12-5-3-4-6-14(12)23(10)2)17(24)11-7-8-13(18(19,20)21)15(9-11)27(22,25)26/h3-9H,1-2H3,(H2,22,25,26)
InChIKeyPTNMWBZSCPUJNF-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.38
Rot. Bonds3

About 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide

5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 21316564) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID21316564
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(C(=O)c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2)c2ccccc2n1C
InChIInChI=1S/C18H15F3N2O3S/c1-10-16(12-5-3-4-6-14(12)23(10)2)17(24)11-7-8-13(18(19,20)21)15(9-11)27(22,25)26/h3-9H,1-2H3,(H2,22,25,26)
InChIKeyPTNMWBZSCPUJNF-UHFFFAOYSA-N
XLogP3.38
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
CID 848535
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-5-carboxamide;hydrochloride
CID 130302611
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-6-carboxamide;hydrochloride
CID 137459833
2-(2,2-Dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 4808464
2-(1,2-dimethyl-1H-indol-3-yl)-2-oxo-N-(4-sulfamoylphenethyl)acetamide
CID 15944802
1-(3-(trifluoromethyl)benzyl)-N-(o-tolylsulfonyl)-1H-indole-2-carboxamide
CID 44419354
1-(4-(trifluoromethyl)benzyl)-N-(3-(trifluoromethyl)phenylsulfonyl)-1H-indole-2-carboxamide
CID 44419373
1-benzyl-N-(3-(trifluoromethyl)phenylsulfonyl)-1H-indole-2-carboxamide
CID 44419382
1-(4-tert-butylbenzyl)-N-(3-(trifluoromethyl)phenylsulfonyl)-1H-indole-2-carboxamide
CID 44419386
2-[4-(Tert-butylsulfonylamino)phenyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxamide
CID 127037050
2-[4-(Tert-butylsulfonylamino)phenyl]-1-cyclopentyl-4-fluoro-6-methylindole-3-carboxamide
CID 127037344
2-[4-(Tert-butylsulfonylamino)phenyl]-1-cyclopentyl-6-(difluoromethyl)-4-fluoroindole-3-carboxamide
CID 127037345

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide (CID 21316564) is 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide is Cc1c(C(=O)c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2)c2ccccc2n1C.
What is the InChIKey of 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PTNMWBZSCPUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-10-16(12-5-3-4-6-14(12)23(10)2)17(24)11-7-8-13(18(19,20)21)15(9-11)27(22,25)26/h3-9H,1-2H3,(H2,22,25,26).
What are the key properties of 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 396.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylindole-3-carbonyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 21316564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).