N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C16H14ClF4NO3S — CID 170730191

IUPACN-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)C(F)(F)F)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H14ClF4NO3S/c1-10-5-7-11(8-6-10)26(24,25)22(9-14(23)16(19,20)21)13-4-2-3-12(17)15(13)18/h2-8,14,23H,9H2,1H3
InChIKeyNFXNRHRVOYMDDS-UHFFFAOYSA-N
MW411.80 g/mol
LogP3.91
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 170730191) has the molecular formula C16H14ClF4NO3S and a molecular weight of 411.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID170730191
Molecular FormulaC16H14ClF4NO3S
Molecular Weight411.80 g/mol
Exact Mass411.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)C(F)(F)F)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H14ClF4NO3S/c1-10-5-7-11(8-6-10)26(24,25)22(9-14(23)16(19,20)21)13-4-2-3-12(17)15(13)18/h2-8,14,23H,9H2,1H3
InChIKeyNFXNRHRVOYMDDS-UHFFFAOYSA-N
XLogP3.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 170730191) is N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(O)C(F)(F)F)c2cccc(Cl)c2F)cc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is NFXNRHRVOYMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF4NO3S/c1-10-5-7-11(8-6-10)26(24,25)22(9-14(23)16(19,20)21)13-4-2-3-12(17)15(13)18/h2-8,14,23H,9H2,1H3.
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 411.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 170730191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).