N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide

C15H16ClFN4O4S — CID 146336709

IUPACN-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCOC(C(=O)Nc3ccc(Cl)c(F)c3)C2)c1
InChIInChI=1S/C15H16ClFN4O4S/c1-20-8-14(18-9-20)26(23,24)21-4-5-25-13(7-21)15(22)19-10-2-3-11(16)12(17)6-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,19,22)
InChIKeyYLCMCOQKPMQPQO-UHFFFAOYSA-N
MW402.84 g/mol
LogP1.24
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide

N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide (PubChem CID 146336709) has the molecular formula C15H16ClFN4O4S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
PubChem CID146336709
Molecular FormulaC15H16ClFN4O4S
Molecular Weight402.84 g/mol
Exact Mass402.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCOC(C(=O)Nc3ccc(Cl)c(F)c3)C2)c1
InChIInChI=1S/C15H16ClFN4O4S/c1-20-8-14(18-9-20)26(23,24)21-4-5-25-13(7-21)15(22)19-10-2-3-11(16)12(17)6-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,19,22)
InChIKeyYLCMCOQKPMQPQO-UHFFFAOYSA-N
XLogP1.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide;N-(4-chloro-3-fluorophenyl)morpholine-2-carboxamide;methane
CID 167627409
N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958671
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92725572
(3S)-N-(4-chloro-3-fluorophenyl)-1-cyclohexylsulfonylpiperidine-3-carboxamide;(3S)-N-(4-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide;3-N-(4-chloro-3-fluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;(3S)-N-(4-chloro-3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 167572439
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759
N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085413
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419
(4-chloro-3-fluorophenyl)-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 90408663

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide (CID 146336709) is N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCOC(C(=O)Nc3ccc(Cl)c(F)c3)C2)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
The InChIKey is YLCMCOQKPMQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O4S/c1-20-8-14(18-9-20)26(23,24)21-4-5-25-13(7-21)15(22)19-10-2-3-11(16)12(17)6-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,19,22).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide?
N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 146336709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).