N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide

C11H16ClN3O2S — CID 104821771

IUPACN-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)N1CCCCCC1
InChIInChI=1S/C11H16ClN3O2S/c12-10-5-6-13-11(9-10)14-18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14)
InChIKeyZZJCOYRKWLYXTA-UHFFFAOYSA-N
MW289.79 g/mol
LogP2.27
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide

N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide (PubChem CID 104821771) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
PubChem CID104821771
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)N1CCCCCC1
InChIInChI=1S/C11H16ClN3O2S/c12-10-5-6-13-11(9-10)14-18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14)
InChIKeyZZJCOYRKWLYXTA-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
CID 104821716
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744
N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
CID 114052244
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide
CID 114049141
4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 114279820
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
CID 43520623
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]piperidine-1-sulfonamide
CID 11646302
(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156165

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide (CID 104821771) is N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide is O=S(=O)(Nc1cc(Cl)ccn1)N1CCCCCC1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide?
The InChIKey is ZZJCOYRKWLYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-10-5-6-13-11(9-10)14-18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14).
What are the key properties of N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide?
N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide is sourced from PubChem (CID 104821771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).