N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide

C22H23F2N3O2S2 — CID 69195301

IUPACN-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide
SMILESCC1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)CC(C)N1
InChIInChI=1S/C22H23F2N3O2S2/c1-14-12-27(13-15(2)25-14)17-6-7-18(23)20(11-17)26-31(28,29)22-8-5-16(10-19(22)24)21-4-3-9-30-21/h3-11,14-15,25-26H,12-13H2,1-2H3
InChIKeyGOWHJDTUNRCBPU-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.68
Rot. Bonds5

About N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide

N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide (PubChem CID 69195301) has the molecular formula C22H23F2N3O2S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide
PubChem CID69195301
Molecular FormulaC22H23F2N3O2S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide
SMILESCC1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)CC(C)N1
InChIInChI=1S/C22H23F2N3O2S2/c1-14-12-27(13-15(2)25-14)17-6-7-18(23)20(11-17)26-31(28,29)22-8-5-16(10-19(22)24)21-4-3-9-30-21/h3-11,14-15,25-26H,12-13H2,1-2H3
InChIKeyGOWHJDTUNRCBPU-UHFFFAOYSA-N
XLogP4.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-2-methoxy-4-thiophen-2-ylbenzenesulfonamide;4-(furan-3-yl)-2-methoxybenzenesulfonamide
CID 69445654
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoro-4-methoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
CID 69198105
N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
CID 69194399
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-2-methyl-4-(4-methylthiophen-2-yl)benzenesulfonamide
CID 69197763
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-6-thiophen-2-ylpyridine-3-sulfonamide
CID 69195081
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(4-fluorophenyl)thiophene-2-sulfonamide
CID 69197633
5-(3-chlorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]thiophene-2-sulfonamide
CID 69195080
4-(3-chloro-4-fluorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]benzenesulfonamide
CID 69194576
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(3-methylphenyl)thiophene-2-sulfonamide
CID 69197089
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-(furan-2-yl)-2-methylbenzenesulfonamide
CID 24803350
N-[3-(3,5-dimethylpiperazin-1-yl)phenyl]-2-methoxy-4-(4-methylthiophen-2-yl)benzenesulfonamide
CID 69197457
4-chloro-N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]naphthalene-1-sulfonamide
CID 69195552

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide (CID 69195301) is N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide is CC1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)CC(C)N1.
What is the InChIKey of N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide?
The InChIKey is GOWHJDTUNRCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2S2/c1-14-12-27(13-15(2)25-14)17-6-7-18(23)20(11-17)26-31(28,29)22-8-5-16(10-19(22)24)21-4-3-9-30-21/h3-11,14-15,25-26H,12-13H2,1-2H3.
What are the key properties of N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide?
N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide has a molecular weight of 463.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 69195301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).