2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide

C19H21Cl2FN2O3S2 — CID 43017438

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H21Cl2FN2O3S2/c1-28-11-9-17(19(25)23-10-8-13-4-2-3-5-16(13)22)24-29(26,27)18-12-14(20)6-7-15(18)21/h2-7,12,17,24H,8-11H2,1H3,(H,23,25)
InChIKeyUEQLXHHDIBMEDS-UHFFFAOYSA-N
MW479.43 g/mol
LogP3.89
Rot. Bonds10

About 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide

2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 43017438) has the molecular formula C19H21Cl2FN2O3S2 and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID43017438
Molecular FormulaC19H21Cl2FN2O3S2
Molecular Weight479.43 g/mol
Exact Mass478.04
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H21Cl2FN2O3S2/c1-28-11-9-17(19(25)23-10-8-13-4-2-3-5-16(13)22)24-29(26,27)18-12-14(20)6-7-15(18)21/h2-7,12,17,24H,8-11H2,1H3,(H,23,25)
InChIKeyUEQLXHHDIBMEDS-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
N-[2-(3-chlorophenoxy)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55724599
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 41082020
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55866835
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
CID 24647982
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 112803692
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
N-[3-(2-fluoro-N-methylanilino)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55954994

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide (CID 43017438) is 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is UEQLXHHDIBMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O3S2/c1-28-11-9-17(19(25)23-10-8-13-4-2-3-5-16(13)22)24-29(26,27)18-12-14(20)6-7-15(18)21/h2-7,12,17,24H,8-11H2,1H3,(H,23,25).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 479.43 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 43017438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).