N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide

C17H17ClN2O4S — CID 110624241

IUPACN-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-5-4-8-15(11-13)25(23,24)10-9-16(21)19-12-17(22)20-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyTUDZFNXNFFQCTM-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.26
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide

N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide (PubChem CID 110624241) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
PubChem CID110624241
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-5-4-8-15(11-13)25(23,24)10-9-16(21)19-12-17(22)20-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyTUDZFNXNFFQCTM-UHFFFAOYSA-N
XLogP2.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
CID 41273157
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110424864
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620805
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide (CID 110624241) is N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The InChIKey is TUDZFNXNFFQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-13-5-4-8-15(11-13)25(23,24)10-9-16(21)19-12-17(22)20-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide?
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide has a molecular weight of 380.85 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 110624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).