4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

C24H24FN3O4S — CID 24818382

IUPAC4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)ccc1F
InChIInChI=1S/C24H24FN3O4S/c1-17-16-20(10-11-21(17)25)33(31,32)26-19-8-6-18(7-9-19)24(30)28-14-12-27(13-15-28)22-4-2-3-5-23(22)29/h2-11,16,26,29H,12-15H2,1H3
InChIKeyMQTOOYACLKMCDR-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds5

About 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide

4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 24818382) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
PubChem CID24818382
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)ccc1F
InChIInChI=1S/C24H24FN3O4S/c1-17-16-20(10-11-21(17)25)33(31,32)26-19-8-6-18(7-9-19)24(30)28-14-12-27(13-15-28)22-4-2-3-5-23(22)29/h2-11,16,26,29H,12-15H2,1H3
InChIKeyMQTOOYACLKMCDR-UHFFFAOYSA-N
XLogP3.60
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide (CID 24818382) is 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is MQTOOYACLKMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-17-16-20(10-11-21(17)25)33(31,32)26-19-8-6-18(7-9-19)24(30)28-14-12-27(13-15-28)22-4-2-3-5-23(22)29/h2-11,16,26,29H,12-15H2,1H3.
What are the key properties of 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 469.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 24818382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).