5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C23H24ClF2N3O4S — CID 175352886

IUPAC5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCN(C)c1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C23H24ClF2N3O4S/c1-5-28(2)20-12-19(26)22(11-18(20)24)34(30,31)29(23-9-7-16(25)13-27-23)14-15-6-8-17(32-3)10-21(15)33-4/h6-13H,5,14H2,1-4H3
InChIKeyRMTYECJEGAMKLM-UHFFFAOYSA-N
MW511.98 g/mol
LogP4.88
Rot. Bonds9

About 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 175352886) has the molecular formula C23H24ClF2N3O4S and a molecular weight of 511.98 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID175352886
Molecular FormulaC23H24ClF2N3O4S
Molecular Weight511.98 g/mol
Exact Mass511.11
IUPAC Name5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCN(C)c1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C23H24ClF2N3O4S/c1-5-28(2)20-12-19(26)22(11-18(20)24)34(30,31)29(23-9-7-16(25)13-27-23)14-15-6-8-17(32-3)10-21(15)33-4/h6-13H,5,14H2,1-4H3
InChIKeyRMTYECJEGAMKLM-UHFFFAOYSA-N
XLogP4.88
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)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

4-anilino-5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 175352875
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl(methyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118112292
5-chloro-2,4-difluoro-N-[(4-methoxy-2-methylphenyl)methyl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 134598765
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(5-ethyl-6H-1,3-thiazin-2-yl)-2-fluoro-4-methylbenzenesulfonamide
CID 123782861
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 146629958
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4,5-difluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118121088
2-chloro-4-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-5-fluorobenzoic acid
CID 156703283
4-amino-5-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 146524816
2-[5-chloro-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyridin-2-ylsulfamoyl]-5-fluoroanilino]-N-methylanilino]ethyl N-methylcarbamate
CID 135325222
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 145406504
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429706
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[2-fluoro-6-(methoxymethyl)phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134586031

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 175352886) is 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is CCN(C)c1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ccc(F)cn2)cc1Cl.
What is the InChIKey of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is RMTYECJEGAMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3O4S/c1-5-28(2)20-12-19(26)22(11-18(20)24)34(30,31)29(23-9-7-16(25)13-27-23)14-15-6-8-17(32-3)10-21(15)33-4/h6-13H,5,14H2,1-4H3.
What are the key properties of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 511.98 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[ethyl(methyl)amino]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 175352886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).