2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide

C16H24Cl2N2O3S — CID 69367440

IUPAC2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-11-5-3-6-12(2)20(11)10-13(21)9-19-24(22,23)15-8-4-7-14(17)16(15)18/h4,7-8,11-13,19,21H,3,5-6,9-10H2,1-2H3/t11-,12+,13?
InChIKeyRMUBKEQNBRJLID-FUNVUKJBSA-N
MW395.35 g/mol
LogP2.90
Rot. Bonds6

About 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide

2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide (PubChem CID 69367440) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
PubChem CID69367440
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC Name2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-11-5-3-6-12(2)20(11)10-13(21)9-19-24(22,23)15-8-4-7-14(17)16(15)18/h4,7-8,11-13,19,21H,3,5-6,9-10H2,1-2H3/t11-,12+,13?
InChIKeyRMUBKEQNBRJLID-FUNVUKJBSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
CID 69367313
4-bromo-2,5-dichloro-N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]thiophene-3-sulfonamide;5-chloronaphthalene-1-sulfonic acid
CID 161323483
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
N-[(2S)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-4-phenoxybenzenesulfonamide
CID 69367910
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-2,3-dimethoxybenzenesulfonamide;7-(trifluoromethyl)quinoline-5-sulfonic acid
CID 161282850
3-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 68580466
N-[(2R)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]cyclohexa-2,4-diene-1-sulfonamide
CID 67565283
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide (CID 69367440) is 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide is C[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is RMUBKEQNBRJLID-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H24Cl2N2O3S/c1-11-5-3-6-12(2)20(11)10-13(21)9-19-24(22,23)15-8-4-7-14(17)16(15)18/h4,7-8,11-13,19,21H,3,5-6,9-10H2,1-2H3/t11-,12+,13?.
What are the key properties of 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 395.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 69367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).