4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide

C16H19ClN2O3S — CID 35203130

IUPAC4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-2-3-6-11-22-15-12-13(8-9-14(15)17)23(20,21)19-16-7-4-5-10-18-16/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyLKWOBJYLDXUONY-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.10
Rot. Bonds8

About 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide

4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 35203130) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID35203130
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-2-3-6-11-22-15-12-13(8-9-14(15)17)23(20,21)19-16-7-4-5-10-18-16/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyLKWOBJYLDXUONY-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
CID 42065850
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
3-butoxy-4-chlorobenzenesulfonyl chloride
CID 50876022
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide (CID 35203130) is 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide is CCCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is LKWOBJYLDXUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-2-3-6-11-22-15-12-13(8-9-14(15)17)23(20,21)19-16-7-4-5-10-18-16/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,18,19).
What are the key properties of 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide?
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 35203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).