N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide

C14H17ClN2O4S — CID 22750915

IUPACN-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide
SMILESC/C(=C\S(=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)/b11-10+
InChIKeyZKRJYEQUSAFPRQ-ZHACJKMWSA-N
MW344.82 g/mol
LogP2.07
Rot. Bonds3

About N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide

N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide (PubChem CID 22750915) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide
PubChem CID22750915
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC NameN-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide
SMILESC/C(=C\S(=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)/b11-10+
InChIKeyZKRJYEQUSAFPRQ-ZHACJKMWSA-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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Related Compounds

2-[(4-Chlorobenzyl)sulfonyl]-1-(2,6-dimethylmorpholino)-1-ethanone
CID 2767203
1-(4-Chlorophenyl)-N-(2-morpholinoethyl)methanesulfonamide
CID 2229354
4-[(4-Chlorobenzyl)sulfonyl]morpholine
CID 2229589
Ethyl 4-[(4-chlorobenzyl)sulfonyl]piperazine-1-carboxylate
CID 18891289
N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide
CID 22750807
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetate
CID 22750871
N-[(E)-1-phenylbut-1-en-2-yl]sulfonylmorpholine-4-carboxamide
CID 22750919
N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide
CID 22750987
Methyl 2-[2-(4-chlorophenyl)ethenylsulfonylcarbamoylamino]acetate
CID 54299658
3-[2-(4-Chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea
CID 54356698
N-[2-(4-chlorophenyl)prop-1-enylsulfonyl]morpholine-4-carboxamide
CID 54552197
N-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonyl]-4-methoxypiperidine-1-carboxamide
CID 54569768

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide?
The IUPAC name of N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide (CID 22750915) is N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide?
The canonical SMILES for N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide is C/C(=C\S(=O)(=O)NC(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide?
The InChIKey is ZKRJYEQUSAFPRQ-ZHACJKMWSA-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)/b11-10+.
What are the key properties of N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide?
N-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-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-[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylmorpholine-4-carboxamide is sourced from PubChem (CID 22750915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).