N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide

C14H17ClN2O4S — CID 54552197

IUPACN-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide
SMILESCC(=CS(=O)(=O)NC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-11(12-2-4-13(15)5-3-12)10-22(19,20)16-14(18)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZKRJYEQUSAFPRQ-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.07
Rot. Bonds3

About N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide

N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide (PubChem CID 54552197) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide
PubChem CID54552197
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC NameN-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide
SMILESCC(=CS(=O)(=O)NC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-11(12-2-4-13(15)5-3-12)10-22(19,20)16-14(18)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZKRJYEQUSAFPRQ-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide (CID 54552197) is N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide is CC(=CS(=O)(=O)NC(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide?
The InChIKey is ZKRJYEQUSAFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-11(12-2-4-13(15)5-3-12)10-22(19,20)16-14(18)17-6-8-21-9-7-17/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide?
N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide is sourced from PubChem (CID 54552197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).