N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide

C24H29FN2O4S — CID 141139016

IUPACN-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(CCC(O)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H29FN2O4S/c25-19-8-6-18(7-9-19)23(28)12-13-24(29)26-16-14-21(15-17-26)27(20-10-11-20)32(30,31)22-4-2-1-3-5-22/h1-9,20-21,23,28H,10-17H2
InChIKeyULUNPTCFUIYJOF-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.48
Rot. Bonds8

About N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide

N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 141139016) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID141139016
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(CCC(O)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H29FN2O4S/c25-19-8-6-18(7-9-19)23(28)12-13-24(29)26-16-14-21(15-17-26)27(20-10-11-20)32(30,31)22-4-2-1-3-5-22/h1-9,20-21,23,28H,10-17H2
InChIKeyULUNPTCFUIYJOF-UHFFFAOYSA-N
XLogP3.48
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
CID 5173746
4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 160753308
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 99928671
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 68691572
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 119373543
N-cyclopentyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058585
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 111434248
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide (CID 141139016) is N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide is O=C(CCC(O)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is ULUNPTCFUIYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c25-19-8-6-18(7-9-19)23(28)12-13-24(29)26-16-14-21(15-17-26)27(20-10-11-20)32(30,31)22-4-2-1-3-5-22/h1-9,20-21,23,28H,10-17H2.
What are the key properties of N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide?
N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 460.57 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 141139016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).