N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

C18H20Cl2N2O3S2 — CID 39205864

IUPACN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20Cl2N2O3S2/c19-14-5-3-13(16(20)12-14)4-6-17(23)22-9-7-15(8-10-22)21-27(24,25)18-2-1-11-26-18/h1-3,5,11-12,15,21H,4,6-10H2
InChIKeyIWXZQCLFFKLYRF-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 39205864) has the molecular formula C18H20Cl2N2O3S2 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID39205864
Molecular FormulaC18H20Cl2N2O3S2
Molecular Weight447.41 g/mol
Exact Mass446.03
IUPAC NameN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20Cl2N2O3S2/c19-14-5-3-13(16(20)12-14)4-6-17(23)22-9-7-15(8-10-22)21-27(24,25)18-2-1-11-26-18/h1-3,5,11-12,15,21H,4,6-10H2
InChIKeyIWXZQCLFFKLYRF-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
CID 149101841
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
CID 33172544
N-[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55822643
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 39205864) is N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(CCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is IWXZQCLFFKLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S2/c19-14-5-3-13(16(20)12-14)4-6-17(23)22-9-7-15(8-10-22)21-27(24,25)18-2-1-11-26-18/h1-3,5,11-12,15,21H,4,6-10H2.
What are the key properties of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 447.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 39205864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).