1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide

C20H18ClF3N2O4S — CID 155224617

IUPAC1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCc2ccccc21)C1(c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H18ClF3N2O4S/c21-16-8-7-14(30-20(22,23)24)12-15(16)19(9-10-19)18(27)25-31(28,29)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-8,12H,3,5,9-11H2,(H,25,27)
InChIKeyHDMVYHDLPZKCAH-UHFFFAOYSA-N
MW474.89 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide

1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 155224617) has the molecular formula C20H18ClF3N2O4S and a molecular weight of 474.89 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
PubChem CID155224617
Molecular FormulaC20H18ClF3N2O4S
Molecular Weight474.89 g/mol
Exact Mass474.06
IUPAC Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCc2ccccc21)C1(c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H18ClF3N2O4S/c21-16-8-7-14(30-20(22,23)24)12-15(16)19(9-10-19)18(27)25-31(28,29)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-8,12H,3,5,9-11H2,(H,25,27)
InChIKeyHDMVYHDLPZKCAH-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide 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

1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
CID 155224613
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide
CID 37203095
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
methyl 2-[[7-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 141486301
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide (CID 155224617) is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)N1CCCc2ccccc21)C1(c2cc(OC(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is HDMVYHDLPZKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O4S/c21-16-8-7-14(30-20(22,23)24)12-15(16)19(9-10-19)18(27)25-31(28,29)26-11-3-5-13-4-1-2-6-17(13)26/h1-2,4,6-8,12H,3,5,9-11H2,(H,25,27).
What are the key properties of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide?
1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 474.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155224617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).