N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide

C22H22N2O4S — CID 10272987

IUPACN-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-8-10-21(11-9-20)29(26,27)24(16-17-25)22-5-3-2-4-19(22)7-6-18-12-14-23-15-13-18/h2-15,25H,16-17H2,1H3/b7-6+
InChIKeyJNPLUGXSSYAUQL-VOTSOKGWSA-N
MW410.50 g/mol
LogP3.45
Rot. Bonds8

About N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide

N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide (PubChem CID 10272987) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
PubChem CID10272987
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-28-20-8-10-21(11-9-20)29(26,27)24(16-17-25)22-5-3-2-4-19(22)7-6-18-12-14-23-15-13-18/h2-15,25H,16-17H2,1H3/b7-6+
InChIKeyJNPLUGXSSYAUQL-VOTSOKGWSA-N
XLogP3.45
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
N-(4-methoxyphenyl)sulfonyl-N-[2-[(Z)-2-pyridin-4-ylethenyl]phenyl]acetamide
CID 167028467
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
CID 139895004
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
CID 142655552
2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
CID 139894940
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetic acid
CID 139894948
tert-butyl 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetate
CID 139895016
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]anilino]acetic acid
CID 139895022
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
N-(2-hydroxyphenyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781422
N-(4-methoxyphenyl)sulfonyl-2-(4-methylpiperazin-1-yl)-N-[2-[2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
CID 69341477
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide (CID 10272987) is N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)c2ccccc2/C=C/c2ccncc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide?
The InChIKey is JNPLUGXSSYAUQL-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-28-20-8-10-21(11-9-20)29(26,27)24(16-17-25)22-5-3-2-4-19(22)7-6-18-12-14-23-15-13-18/h2-15,25H,16-17H2,1H3/b7-6+.
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10272987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).