N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide

C20H21ClFN5O3S — CID 176899170

IUPACN-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(NC(=O)c2cc(-c3ncc(N(C)C)cc3F)n(C)c2)c1
InChIInChI=1S/C20H21ClFN5O3S/c1-23-31(29,30)16-7-13(21)6-14(8-16)25-20(28)12-5-18(27(4)11-12)19-17(22)9-15(10-24-19)26(2)3/h5-11,23H,1-4H3,(H,25,28)
InChIKeyGEWBVQZOYXVWIB-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.11
Rot. Bonds6

About N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide

N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide (PubChem CID 176899170) has the molecular formula C20H21ClFN5O3S and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide
PubChem CID176899170
Molecular FormulaC20H21ClFN5O3S
Molecular Weight465.94 g/mol
Exact Mass465.10
IUPAC NameN-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(NC(=O)c2cc(-c3ncc(N(C)C)cc3F)n(C)c2)c1
InChIInChI=1S/C20H21ClFN5O3S/c1-23-31(29,30)16-7-13(21)6-14(8-16)25-20(28)12-5-18(27(4)11-12)19-17(22)9-15(10-24-19)26(2)3/h5-11,23H,1-4H3,(H,25,28)
InChIKeyGEWBVQZOYXVWIB-UHFFFAOYSA-N
XLogP3.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide 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-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 169144477
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
CID 53167935
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 55826230
N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 53007857
3-chloro-N-methyl-5-nitrosobenzenesulfonamide
CID 89308424

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide (CID 176899170) is N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide is CNS(=O)(=O)c1cc(Cl)cc(NC(=O)c2cc(-c3ncc(N(C)C)cc3F)n(C)c2)c1.
What is the InChIKey of N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is GEWBVQZOYXVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O3S/c1-23-31(29,30)16-7-13(21)6-14(8-16)25-20(28)12-5-18(27(4)11-12)19-17(22)9-15(10-24-19)26(2)3/h5-11,23H,1-4H3,(H,25,28).
What are the key properties of N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide?
N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methylsulfamoyl)phenyl]-5-[5-(dimethylamino)-3-fluoro-2-pyridinyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 176899170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).