ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate

C15H14F3N3O4S — CID 1214468

IUPACethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O4S/c1-2-25-14(22)21-26(23,24)13-9-19-7-6-12(13)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyINZIXSXWHAVVFS-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.28
Rot. Bonds5

About ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate

ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate (PubChem CID 1214468) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate
PubChem CID1214468
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Nameethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O4S/c1-2-25-14(22)21-26(23,24)13-9-19-7-6-12(13)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyINZIXSXWHAVVFS-UHFFFAOYSA-N
XLogP3.28
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
CID 3043795
N'-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]pyrrolidine-1-carboximidamide
CID 171984443
ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate
CID 25046683
1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
CID 12655483
1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 63063127
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
ethyl 3-amino-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2774309
ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2761310
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
ethyl N-[2-(ethoxycarbonylcarbamoyl)-3-[3-(trifluoromethyl)anilino]prop-2-enoyl]carbamate
CID 45034304

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate?
The IUPAC name of ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate (CID 1214468) is ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate?
The canonical SMILES for ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate is CCOC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate?
The InChIKey is INZIXSXWHAVVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c1-2-25-14(22)21-26(23,24)13-9-19-7-6-12(13)20-11-5-3-4-10(8-11)15(16,17)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate?
ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate has a molecular weight of 389.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate is sourced from PubChem (CID 1214468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).