2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C13H13ClN2O2S — CID 4827426

IUPAC2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H13ClN2O2S/c1-10(11-6-8-15-9-7-11)16-19(17,18)13-5-3-2-4-12(13)14/h2-10,16H,1H3
InChIKeyMIZDNBHPBIWOBP-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide

2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 4827426) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID4827426
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H13ClN2O2S/c1-10(11-6-8-15-9-7-11)16-19(17,18)13-5-3-2-4-12(13)14/h2-10,16H,1H3
InChIKeyMIZDNBHPBIWOBP-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
CID 46445215
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 4827426) is 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Cl)c1ccncc1.
What is the InChIKey of 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is MIZDNBHPBIWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-10(11-6-8-15-9-7-11)16-19(17,18)13-5-3-2-4-12(13)14/h2-10,16H,1H3.
What are the key properties of 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4827426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).