4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

C15H22ClN3O5S2 — CID 55940381

IUPAC4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H22ClN3O5S2/c1-11(17-26(23,24)14-7-5-12(16)6-8-14)15(20)19-9-3-4-13(10-19)18-25(2,21)22/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1
InChIKeyCAEYROVLCVFWNR-AMGKYWFPSA-N
MW423.94 g/mol
LogP0.55
Rot. Bonds6

About 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 55940381) has the molecular formula C15H22ClN3O5S2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID55940381
Molecular FormulaC15H22ClN3O5S2
Molecular Weight423.94 g/mol
Exact Mass423.07
IUPAC Name4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C15H22ClN3O5S2/c1-11(17-26(23,24)14-7-5-12(16)6-8-14)15(20)19-9-3-4-13(10-19)18-25(2,21)22/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1
InChIKeyCAEYROVLCVFWNR-AMGKYWFPSA-N
XLogP0.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119519000
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455118
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 55940304
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 119492385
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119492384
N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 129345225

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 55940381) is 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is CAEYROVLCVFWNR-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H22ClN3O5S2/c1-11(17-26(23,24)14-7-5-12(16)6-8-14)15(20)19-9-3-4-13(10-19)18-25(2,21)22/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 423.94 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 55940381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).