N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

C19H21ClFN3O3S — CID 24587410

IUPACN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O3S/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)28(26,27)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyVPJVQOCNHNFBDK-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.81
Rot. Bonds6

About N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 24587410) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID24587410
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O3S/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)28(26,27)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyVPJVQOCNHNFBDK-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
CID 24588853
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 38752016
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30739246
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 24587410) is N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is VPJVQOCNHNFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)28(26,27)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 425.91 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 24587410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).