2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H14ClF3N2O3S — CID 124721813

IUPAC2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c13-11-9(5-6-10(17-11)12(14,15)16)22(20,21)18-7-3-1-2-4-8(7)19/h5-8,18-19H,1-4H2/t7-,8-/m0/s1
InChIKeyAIKCKYVJUMNOTG-YUMQZZPRSA-N
MW358.77 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 124721813) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID124721813
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c13-11-9(5-6-10(17-11)12(14,15)16)22(20,21)18-7-3-1-2-4-8(7)19/h5-8,18-19H,1-4H2/t7-,8-/m0/s1
InChIKeyAIKCKYVJUMNOTG-YUMQZZPRSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
CID 104922343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 124721813) is 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is AIKCKYVJUMNOTG-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c13-11-9(5-6-10(17-11)12(14,15)16)22(20,21)18-7-3-1-2-4-8(7)19/h5-8,18-19H,1-4H2/t7-,8-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 358.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 124721813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).