N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

C22H22ClN3O3S2 — CID 6621325

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H22ClN3O3S2/c23-18-8-4-9-19(16-18)25-11-13-26(14-12-25)22(27)21(17-6-2-1-3-7-17)24-31(28,29)20-10-5-15-30-20/h1-10,15-16,21,24H,11-14H2
InChIKeyMJNNOZVOSAHCSC-UHFFFAOYSA-N
MW476.02 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 6621325) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID6621325
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H22ClN3O3S2/c23-18-8-4-9-19(16-18)25-11-13-26(14-12-25)22(27)21(17-6-2-1-3-7-17)24-31(28,29)20-10-5-15-30-20/h1-10,15-16,21,24H,11-14H2
InChIKeyMJNNOZVOSAHCSC-UHFFFAOYSA-N
XLogP3.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (CID 6621325) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is O=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is MJNNOZVOSAHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c23-18-8-4-9-19(16-18)25-11-13-26(14-12-25)22(27)21(17-6-2-1-3-7-17)24-31(28,29)20-10-5-15-30-20/h1-10,15-16,21,24H,11-14H2.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 476.02 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).