N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide

C17H19ClN2O4S — CID 32998656

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O4S/c18-14-5-4-8-16(13-14)25(22,23)20-11-10-19-17(21)9-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyJRDRLFIHMBMIPJ-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide (PubChem CID 32998656) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
PubChem CID32998656
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O4S/c18-14-5-4-8-16(13-14)25(22,23)20-11-10-19-17(21)9-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyJRDRLFIHMBMIPJ-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide (CID 32998656) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide?
The InChIKey is JRDRLFIHMBMIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-14-5-4-8-16(13-14)25(22,23)20-11-10-19-17(21)9-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide has a molecular weight of 382.87 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 32998656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).