4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide

C22H27ClFN3O4S — CID 15519902

IUPAC4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(C[C@H](NS(=O)(=O)c2cnccc2Cl)C(=O)N2CCC(CCF)CC2)cc1
InChIInChI=1S/C22H27ClFN3O4S/c1-31-18-4-2-17(3-5-18)14-20(22(28)27-12-8-16(6-10-24)9-13-27)26-32(29,30)21-15-25-11-7-19(21)23/h2-5,7,11,15-16,20,26H,6,8-10,12-14H2,1H3/t20-/m0/s1
InChIKeyKDZUMHRTKHPPMF-FQEVSTJZSA-N
MW483.99 g/mol
LogP3.23
Rot. Bonds9

About 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide

4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide (PubChem CID 15519902) has the molecular formula C22H27ClFN3O4S and a molecular weight of 483.99 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide
PubChem CID15519902
Molecular FormulaC22H27ClFN3O4S
Molecular Weight483.99 g/mol
Exact Mass483.14
IUPAC Name4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide
SMILESCOc1ccc(C[C@H](NS(=O)(=O)c2cnccc2Cl)C(=O)N2CCC(CCF)CC2)cc1
InChIInChI=1S/C22H27ClFN3O4S/c1-31-18-4-2-17(3-5-18)14-20(22(28)27-12-8-16(6-10-24)9-13-27)26-32(29,30)21-15-25-11-7-19(21)23/h2-5,7,11,15-16,20,26H,6,8-10,12-14H2,1H3/t20-/m0/s1
InChIKeyKDZUMHRTKHPPMF-FQEVSTJZSA-N
XLogP3.23
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
CID 15519907
5-amino-1-N,3-N-bis(ethenyl)benzene-1,3-dicarboxamide;(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;5-amino-2,4,6-triiodo-1-N,3-N-bis(3-oxobut-1-en-2-yl)benzene-1,3-dicarboxamide;1-N,3-N-bis(ethenyl)-5-nitrobenzene-1,3-dicarboxamide;4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide;dimethyl 5-nitrobenzene-1,3-dicarboxylate;(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;5-nitrobenzene-1,3-dicarboxylic acid;hexahydrate
CID 158521209
N-[3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[(1-morpholin-4-yl-3-phenylpropan-2-yl)amino]pyridine-3-sulfonamide
CID 85149707
2,5-dichloro-N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862795
3-chloro-4-methoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30143189
3-chloro-4-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 43888960
N-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-4-ethoxybenzenesulfonamide
CID 43889147
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
3-[1-[(2S)-3-(4-methoxyphenyl)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]propanoic acid
CID 54409774
tert-butyl N-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560757
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830
N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(2-phenylacetyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide
CID 67860207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide (CID 15519902) is 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide is COc1ccc(C[C@H](NS(=O)(=O)c2cnccc2Cl)C(=O)N2CCC(CCF)CC2)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is KDZUMHRTKHPPMF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27ClFN3O4S/c1-31-18-4-2-17(3-5-18)14-20(22(28)27-12-8-16(6-10-24)9-13-27)26-32(29,30)21-15-25-11-7-19(21)23/h2-5,7,11,15-16,20,26H,6,8-10,12-14H2,1H3/t20-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide?
4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 483.99 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 15519902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).