4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

C26H27Cl2N5O3S2 — CID 24825367

IUPAC4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31)
InChIKeyXYWVTJKIQVAFBJ-UHFFFAOYSA-N
MW592.57 g/mol
LogP5.32
Rot. Bonds9

About 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825367) has the molecular formula C26H27Cl2N5O3S2 and a molecular weight of 592.57 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
PubChem CID24825367
Molecular FormulaC26H27Cl2N5O3S2
Molecular Weight592.57 g/mol
Exact Mass591.09
IUPAC Name4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31)
InChIKeyXYWVTJKIQVAFBJ-UHFFFAOYSA-N
XLogP5.32
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.57
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825367) is 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The InChIKey is XYWVTJKIQVAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 592.57 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).