4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

C18H18F3N3O2S — CID 133329325

IUPAC4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc2[nH]cc(CCNc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)c12
InChIInChI=1S/C18H18F3N3O2S/c1-11-3-2-4-15-17(11)12(10-24-15)7-8-23-13-5-6-16(27(22,25)26)14(9-13)18(19,20)21/h2-6,9-10,23-24H,7-8H2,1H3,(H2,22,25,26)
InChIKeyWBFDNZXNASUGHW-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.80
Rot. Bonds5

About 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133329325) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133329325
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc2[nH]cc(CCNc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)c12
InChIInChI=1S/C18H18F3N3O2S/c1-11-3-2-4-15-17(11)12(10-24-15)7-8-23-13-5-6-16(27(22,25)26)14(9-13)18(19,20)21/h2-6,9-10,23-24H,7-8H2,1H3,(H2,22,25,26)
InChIKeyWBFDNZXNASUGHW-UHFFFAOYSA-N
XLogP3.80
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
N-[2-(4-iodo-1H-indol-3-yl)ethyl]-4-methylaniline
CID 70325355
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133343566
4-methyl-3-(methylsulfonylmethyl)-1H-indole
CID 117184546
4-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117184552
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 133452791
2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
CID 133343755
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
1-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822
1-N-[2-(1H-indol-3-yl)ethyl]-2,6-bis(trifluoromethyl)benzene-1,4-diamine
CID 59493269
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133329325) is 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is Cc1cccc2[nH]cc(CCNc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)c12.
What is the InChIKey of 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WBFDNZXNASUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-11-3-2-4-15-17(11)12(10-24-15)7-8-23-13-5-6-16(27(22,25)26)14(9-13)18(19,20)21/h2-6,9-10,23-24H,7-8H2,1H3,(H2,22,25,26).
What are the key properties of 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 397.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133329325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).