4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C18H20ClFN2O4S2 — CID 26978979

IUPAC4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20ClFN2O4S2/c1-13-5-7-15(12-18(13)28(25,26)22-9-3-2-4-10-22)21-27(23,24)17-8-6-14(19)11-16(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3
InChIKeyNEBVTJDDRCNEDL-UHFFFAOYSA-N
MW446.95 g/mol
LogP3.76
Rot. Bonds5

About 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 26978979) has the molecular formula C18H20ClFN2O4S2 and a molecular weight of 446.95 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID26978979
Molecular FormulaC18H20ClFN2O4S2
Molecular Weight446.95 g/mol
Exact Mass446.05
IUPAC Name4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20ClFN2O4S2/c1-13-5-7-15(12-18(13)28(25,26)22-9-3-2-4-10-22)21-27(23,24)17-8-6-14(19)11-16(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3
InChIKeyNEBVTJDDRCNEDL-UHFFFAOYSA-N
XLogP3.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)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-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532674
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 3914905
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3263059
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 26978979) is 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is NEBVTJDDRCNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S2/c1-13-5-7-15(12-18(13)28(25,26)22-9-3-2-4-10-22)21-27(23,24)17-8-6-14(19)11-16(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 446.95 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 26978979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).