N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

C17H18ClF4N3O3S — CID 146384186

IUPACN-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)C(F)(F)F)cn(C)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClF4N3O3S/c1-9-14(29(27,28)25(4)10(2)17(20,21)22)8-24(3)15(9)16(26)23-11-5-6-13(19)12(18)7-11/h5-8,10H,1-4H3,(H,23,26)/t10-/m0/s1
InChIKeyZAUDPDZTVBMTIA-JTQLQIEISA-N
MW455.86 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 146384186) has the molecular formula C17H18ClF4N3O3S and a molecular weight of 455.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID146384186
Molecular FormulaC17H18ClF4N3O3S
Molecular Weight455.86 g/mol
Exact Mass455.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)C(F)(F)F)cn(C)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClF4N3O3S/c1-9-14(29(27,28)25(4)10(2)17(20,21)22)8-24(3)15(9)16(26)23-11-5-6-13(19)12(18)7-11/h5-8,10H,1-4H3,(H,23,26)/t10-/m0/s1
InChIKeyZAUDPDZTVBMTIA-JTQLQIEISA-N
XLogP3.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-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

3-chloro-N-(3,4-difluorophenyl)-1-methyl-4-[(1,1,1-trifluoropropan-2-ylamino)sulfamoyl]pyrrole-2-carboxamide
CID 162609065
4-[but-3-enyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-N-(3,4-difluorophenyl)-1-methyl-3-[(E)-prop-1-enyl]pyrrole-2-carboxamide
CID 140762589
N-(3,4-difluorophenyl)-1-methyl-3-[(E)-prop-1-enyl]-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 139462791
N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[2-oxo-2-[[3,3,3-trifluoro-1-(2H-triazol-4-yl)propyl]amino]acetyl]pyrrole-2-carboxamide
CID 154685475
3-chloro-N-(2-cyano-4-fluoro-3-methylphenyl)-1-methyl-4-[propa-1,2-dienyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 146384141
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-(3-cyano-4-fluorophenyl)-4-[(2S)-3,3-difluoro-2-methylbutyl]sulfonyl-3-fluoro-1-methylpyrrole-2-carboxamide
CID 159330964
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
[(2S)-2-[[2-[(3,4-difluorophenyl)carbamoyl]-1-methyl-4-sulfamoylpyrrol-3-yl]oxymethyl]-4,4,4-trifluoro-3-hydroxybutylidyne]sulfanium
CID 162614474
3-chloro-4-[(1,5-difluoro-3-methylpentan-3-yl)sulfamoylamino]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 142392406

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (CID 146384186) is N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is Cc1c(S(=O)(=O)N(C)[C@@H](C)C(F)(F)F)cn(C)c1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is ZAUDPDZTVBMTIA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18ClF4N3O3S/c1-9-14(29(27,28)25(4)10(2)17(20,21)22)8-24(3)15(9)16(26)23-11-5-6-13(19)12(18)7-11/h5-8,10H,1-4H3,(H,23,26)/t10-/m0/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 455.86 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 146384186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).