N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide

C19H19ClN2O4S — CID 46568536

IUPACN-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19ClN2O4S/c20-14-6-8-17(9-7-14)27(25,26)11-10-18(23)21-15-2-1-3-16(12-15)22-19(24)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyRYVCGIXLDYZAQO-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.49
Rot. Bonds7

About N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide

N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 46568536) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID46568536
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19ClN2O4S/c20-14-6-8-17(9-7-14)27(25,26)11-10-18(23)21-15-2-1-3-16(12-15)22-19(24)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyRYVCGIXLDYZAQO-UHFFFAOYSA-N
XLogP3.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide (CID 46568536) is N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is RYVCGIXLDYZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c20-14-6-8-17(9-7-14)27(25,26)11-10-18(23)21-15-2-1-3-16(12-15)22-19(24)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 406.89 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46568536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).