5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide

C14H20BrClN2O2S — CID 63494942

IUPAC5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C14H20BrClN2O2S/c1-2-10-3-5-11(6-4-10)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h7,9-11,18H,2-6,8H2,1H3
InChIKeyNYNBOZMGWGLBCB-UHFFFAOYSA-N
MW395.75 g/mol
LogP3.99
Rot. Bonds5

About 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide

5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 63494942) has the molecular formula C14H20BrClN2O2S and a molecular weight of 395.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID63494942
Molecular FormulaC14H20BrClN2O2S
Molecular Weight395.75 g/mol
Exact Mass394.01
IUPAC Name5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C14H20BrClN2O2S/c1-2-10-3-5-11(6-4-10)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h7,9-11,18H,2-6,8H2,1H3
InChIKeyNYNBOZMGWGLBCB-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
CID 115767086
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide (CID 63494942) is 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide is CCC1CCC(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is NYNBOZMGWGLBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2S/c1-2-10-3-5-11(6-4-10)8-18-21(19,20)13-7-12(15)9-17-14(13)16/h7,9-11,18H,2-6,8H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide?
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 395.75 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63494942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).