N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C24H28FN3O4S — CID 55959537

IUPACN-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1F
InChIInChI=1S/C24H28FN3O4S/c1-17-2-6-19(16-22(17)25)24(30)28-14-12-27(13-15-28)23(29)11-5-18-3-9-21(10-4-18)33(31,32)26-20-7-8-20/h2-4,6,9-10,16,20,26H,5,7-8,11-15H2,1H3
InChIKeyPKYHZFUZJZJXGO-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.49
Rot. Bonds7

About N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55959537) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55959537
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC NameN-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1F
InChIInChI=1S/C24H28FN3O4S/c1-17-2-6-19(16-22(17)25)24(30)28-14-12-27(13-15-28)23(29)11-5-18-3-9-21(10-4-18)33(31,32)26-20-7-8-20/h2-4,6,9-10,16,20,26H,5,7-8,11-15H2,1H3
InChIKeyPKYHZFUZJZJXGO-UHFFFAOYSA-N
XLogP2.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 37435447
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
N-cyclopropyl-4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 38987723
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
N-cyclopropyl-4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 92645794
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55959537) is N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is PKYHZFUZJZJXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-17-2-6-19(16-22(17)25)24(30)28-14-12-27(13-15-28)23(29)11-5-18-3-9-21(10-4-18)33(31,32)26-20-7-8-20/h2-4,6,9-10,16,20,26H,5,7-8,11-15H2,1H3.
What are the key properties of N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 473.57 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55959537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).