N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide

C17H18ClFN2O3S — CID 110285381

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c18-15-11-14(8-9-16(15)19)21-17(22)12-20-25(23,24)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10,12H2,(H,21,22)
InChIKeyDQWJTIKZLSYQPY-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.97
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide (PubChem CID 110285381) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
PubChem CID110285381
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c18-15-11-14(8-9-16(15)19)21-17(22)12-20-25(23,24)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10,12H2,(H,21,22)
InChIKeyDQWJTIKZLSYQPY-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112997895
N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 110370518
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
methyl 4-[[2-(3-phenylpropylsulfonylamino)acetyl]amino]benzoate
CID 112999988
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
CID 47070120
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
CID 110625415

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide (CID 110285381) is N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide is O=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The InChIKey is DQWJTIKZLSYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c18-15-11-14(8-9-16(15)19)21-17(22)12-20-25(23,24)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10,12H2,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide has a molecular weight of 384.86 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide is sourced from PubChem (CID 110285381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).