4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide

C16H21Cl2F3N2O2S2 — CID 10128318

IUPAC4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide
SMILESCN([C@@H]1CC[C@H](N2CCC(C(F)(F)F)CC2)C1)S(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C16H21Cl2F3N2O2S2/c1-22(27(24,25)14-9-13(17)15(18)26-14)11-2-3-12(8-11)23-6-4-10(5-7-23)16(19,20)21/h9-12H,2-8H2,1H3/t11-,12+/m1/s1
InChIKeyOOXZEMMPIPCVPC-NEPJUHHUSA-N
MW465.39 g/mol
LogP4.87
Rot. Bonds4

About 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide

4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide (PubChem CID 10128318) has the molecular formula C16H21Cl2F3N2O2S2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide
PubChem CID10128318
Molecular FormulaC16H21Cl2F3N2O2S2
Molecular Weight465.39 g/mol
Exact Mass464.04
IUPAC Name4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide
SMILESCN([C@@H]1CC[C@H](N2CCC(C(F)(F)F)CC2)C1)S(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C16H21Cl2F3N2O2S2/c1-22(27(24,25)14-9-13(17)15(18)26-14)11-2-3-12(8-11)23-6-4-10(5-7-23)16(19,20)21/h9-12H,2-8H2,1H3/t11-,12+/m1/s1
InChIKeyOOXZEMMPIPCVPC-NEPJUHHUSA-N
XLogP4.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide (CID 10128318) is 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide is CN([C@@H]1CC[C@H](N2CCC(C(F)(F)F)CC2)C1)S(=O)(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide?
The InChIKey is OOXZEMMPIPCVPC-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H21Cl2F3N2O2S2/c1-22(27(24,25)14-9-13(17)15(18)26-14)11-2-3-12(8-11)23-6-4-10(5-7-23)16(19,20)21/h9-12H,2-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide?
4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide has a molecular weight of 465.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10128318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).