3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide

C17H17ClF2N2O3S — CID 25493668

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyNXAYORGKQSJLNL-LLVKDONJSA-N
MW402.85 g/mol
LogP3.16
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide (PubChem CID 25493668) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
PubChem CID25493668
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyNXAYORGKQSJLNL-LLVKDONJSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482091
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide (CID 25493668) is 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide is C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide?
The InChIKey is NXAYORGKQSJLNL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide has a molecular weight of 402.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 25493668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).