N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C30H27ClF4N4O5S2 — CID 127026247

IUPACN-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40)
InChIKeyGEAZKIQQYDOFMM-UHFFFAOYSA-N
MW699.15 g/mol
LogP6.08
Rot. Bonds11

About N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 127026247) has the molecular formula C30H27ClF4N4O5S2 and a molecular weight of 699.15 g/mol. Its IUPAC name is N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID127026247
Molecular FormulaC30H27ClF4N4O5S2
Molecular Weight699.15 g/mol
Exact Mass698.10
IUPAC NameN-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40)
InChIKeyGEAZKIQQYDOFMM-UHFFFAOYSA-N
XLogP6.08
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.15
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide 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

N-[[2-(4-chloroanilino)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873641
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71503662
(2S)-N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
CID 89455585
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 25103754
N-[[6-tert-butyl-2-(3-methylbutoxy)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67441632
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644459
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanethioamide
CID 58873644
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 57401816
2-[butyl(methyl)amino]-3-[[2-[3-fluoro-4-[methyl(sulfino)amino]phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridine
CID 175257437
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194341
N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 118730333
N-[[2-(azepan-1-yl)-6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873542

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 127026247) is N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is GEAZKIQQYDOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40).
What are the key properties of N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 699.15 g/mol, XLogP of 6.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 127026247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).