4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide

C22H23ClN2O3S — CID 57190402

IUPAC4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide
SMILESCCCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-2-4-17-13-18(15-21(14-17)28-20-5-3-11-24-16-20)10-12-25-29(26,27)22-8-6-19(23)7-9-22/h3,5-9,11,13-16,25H,2,4,10,12H2,1H3
InChIKeyXYAXDQBLUFWDIG-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.00
Rot. Bonds9

About 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide

4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide (PubChem CID 57190402) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide
PubChem CID57190402
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide
SMILESCCCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-2-4-17-13-18(15-21(14-17)28-20-5-3-11-24-16-20)10-12-25-29(26,27)22-8-6-19(23)7-9-22/h3,5-9,11,13-16,25H,2,4,10,12H2,1H3
InChIKeyXYAXDQBLUFWDIG-UHFFFAOYSA-N
XLogP5.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoate
CID 10815266
ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-(1-pyridin-3-ylethenyl)phenyl]propanoate
CID 10696676
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
CID 173342920
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
CID 139709183
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide (CID 57190402) is 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide is CCCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is XYAXDQBLUFWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-2-4-17-13-18(15-21(14-17)28-20-5-3-11-24-16-20)10-12-25-29(26,27)22-8-6-19(23)7-9-22/h3,5-9,11,13-16,25H,2,4,10,12H2,1H3.
What are the key properties of 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 430.96 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 57190402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).