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

C24H24FN3O4S — CID 25163603

IUPACN-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H24FN3O4S/c1-17-10-11-18(33(31,32)26-21-7-3-2-6-20(21)25)16-19(17)24(30)28-14-12-27(13-15-28)22-8-4-5-9-23(22)29/h2-11,16,26,29H,12-15H2,1H3
InChIKeyRQNZKFDEKUOMDF-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds5

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

N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide (PubChem CID 25163603) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
PubChem CID25163603
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H24FN3O4S/c1-17-10-11-18(33(31,32)26-21-7-3-2-6-20(21)25)16-19(17)24(30)28-14-12-27(13-15-28)22-8-4-5-9-23(22)29/h2-11,16,26,29H,12-15H2,1H3
InChIKeyRQNZKFDEKUOMDF-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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Related Compounds

CID 16239406
CID 16239406
CID 1087707
CID 1087707
CID 3320895
CID 3320895
CID 3643573
CID 3643573
CID 16034068
CID 16034068
CID 24979676
CID 24979676
CID 24980240
CID 24980240
CID 24980360
CID 24980360
CID 25162618
CID 25162618
CID 25163894
CID 25163894
CID 16238023
CID 16238023
CID 16239861
CID 16239861

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide (CID 25163603) is N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide?
The InChIKey is RQNZKFDEKUOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-17-10-11-18(33(31,32)26-21-7-3-2-6-20(21)25)16-19(17)24(30)28-14-12-27(13-15-28)22-8-4-5-9-23(22)29/h2-11,16,26,29H,12-15H2,1H3.
What are the key properties of N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide?
N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-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 N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).