N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

C17H19Cl2N3O3S2 — CID 60501808

IUPACN-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N3O3S2/c18-13-1-3-14(4-2-13)20-16(23)7-8-21-9-11-22(12-10-21)27(24,25)17-6-5-15(19)26-17/h1-6H,7-12H2,(H,20,23)
InChIKeyVZKTWMVLKQCSAN-UHFFFAOYSA-N
MW448.40 g/mol
LogP3.39
Rot. Bonds6

About N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 60501808) has the molecular formula C17H19Cl2N3O3S2 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
PubChem CID60501808
Molecular FormulaC17H19Cl2N3O3S2
Molecular Weight448.40 g/mol
Exact Mass447.02
IUPAC NameN-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N3O3S2/c18-13-1-3-14(4-2-13)20-16(23)7-8-21-9-11-22(12-10-21)27(24,25)17-6-5-15(19)26-17/h1-6H,7-12H2,(H,20,23)
InChIKeyVZKTWMVLKQCSAN-UHFFFAOYSA-N
XLogP3.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824972
N-(4-chlorophenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propanamide
CID 60503579
4-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]butanoic acid
CID 119135118
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 3236122
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 60575695
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide (CID 60501808) is N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is VZKTWMVLKQCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S2/c18-13-1-3-14(4-2-13)20-16(23)7-8-21-9-11-22(12-10-21)27(24,25)17-6-5-15(19)26-17/h1-6H,7-12H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 448.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 60501808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).