N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

C19H23ClF3N3O3S — CID 153452674

IUPACN-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1)N1CCC1
InChIInChI=1S/C19H23ClF3N3O3S/c20-15-4-2-13(3-5-15)14-6-10-26(11-7-14)30(28,29)16-12-18(16,19(21,22)23)24-17(27)25-8-1-9-25/h2-5,14,16H,1,6-12H2,(H,24,27)
InChIKeyRESVRTRDAOITQZ-UHFFFAOYSA-N
MW465.93 g/mol
LogP3.34
Rot. Bonds4

About N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (PubChem CID 153452674) has the molecular formula C19H23ClF3N3O3S and a molecular weight of 465.93 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
PubChem CID153452674
Molecular FormulaC19H23ClF3N3O3S
Molecular Weight465.93 g/mol
Exact Mass465.11
IUPAC NameN-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1)N1CCC1
InChIInChI=1S/C19H23ClF3N3O3S/c20-15-4-2-13(3-5-15)14-6-10-26(11-7-14)30(28,29)16-12-18(16,19(21,22)23)24-17(27)25-8-1-9-25/h2-5,14,16H,1,6-12H2,(H,24,27)
InChIKeyRESVRTRDAOITQZ-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 153452692
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
N-[1-(4-chlorophenyl)cyclopropyl]pyrrolidine-1-carboxamide
CID 110490806
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867575
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
4-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 90772229
(3R)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)azepane-1-carboxamide
CID 99979735
4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone
CID 143044397

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (CID 153452674) is N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is O=C(NC1(C(F)(F)F)CC1S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1)N1CCC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The InChIKey is RESVRTRDAOITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3O3S/c20-15-4-2-13(3-5-15)14-6-10-26(11-7-14)30(28,29)16-12-18(16,19(21,22)23)24-17(27)25-8-1-9-25/h2-5,14,16H,1,6-12H2,(H,24,27).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide has a molecular weight of 465.93 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is sourced from PubChem (CID 153452674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).