N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide

C17H17ClF2N2O3S — CID 55609087

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClF2N2O3S/c18-13-2-1-3-14(11-13)26(24,25)22-9-8-21-17(23)7-5-12-4-6-15(19)16(20)10-12/h1-4,6,10-11,22H,5,7-9H2,(H,21,23)
InChIKeyRXBBOVULLAHZLY-UHFFFAOYSA-N
MW402.85 g/mol
LogP2.65
Rot. Bonds8

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide (PubChem CID 55609087) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
PubChem CID55609087
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClF2N2O3S/c18-13-2-1-3-14(11-13)26(24,25)22-9-8-21-17(23)7-5-12-4-6-15(19)16(20)10-12/h1-4,6,10-11,22H,5,7-9H2,(H,21,23)
InChIKeyRXBBOVULLAHZLY-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
CID 32999320
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 52703842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide (CID 55609087) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide is O=C(CCc1ccc(F)c(F)c1)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide?
The InChIKey is RXBBOVULLAHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c18-13-2-1-3-14(11-13)26(24,25)22-9-8-21-17(23)7-5-12-4-6-15(19)16(20)10-12/h1-4,6,10-11,22H,5,7-9H2,(H,21,23).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide has a molecular weight of 402.85 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 55609087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).