N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane

C16H19F4N3O3S2 — CID 159175155

IUPACN-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2C)ccc1F.S
InChIInChI=1S/C16H17F4N3O3S.H2S/c1-9-6-11(4-5-13(9)17)21-15(24)14-7-12(8-23(14)3)27(25,26)22-10(2)16(18,19)20;/h4-8,10,22H,1-3H3,(H,21,24);1H2/t10-;/m0./s1
InChIKeyKMEKVSVQAOUNIW-PPHPATTJSA-N
MW441.47 g/mol
LogP3.07
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane

N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane (PubChem CID 159175155) has the molecular formula C16H19F4N3O3S2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
PubChem CID159175155
Molecular FormulaC16H19F4N3O3S2
Molecular Weight441.47 g/mol
Exact Mass441.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2C)ccc1F.S
InChIInChI=1S/C16H17F4N3O3S.H2S/c1-9-6-11(4-5-13(9)17)21-15(24)14-7-12(8-23(14)3)27(25,26)22-10(2)16(18,19)20;/h4-8,10,22H,1-3H3,(H,21,24);1H2/t10-;/m0./s1
InChIKeyKMEKVSVQAOUNIW-PPHPATTJSA-N
XLogP3.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane 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-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
N-(3-bromo-4,5-difluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 162030369
1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-4-[[(2R)-1,1,1-trifluorobut-3-yn-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 162546522
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
4-(butan-2-ylsulfamoyl)-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 123773962
ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 144745457
N-(4-fluoro-3-methylphenyl)-4-[(3-hydroxycyclobutyl)methylsulfonyl]-1-methylpyrrole-2-carboxamide
CID 149029187
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294824
N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 121294822
N-(3,4-difluorophenyl)-1-methyl-3-[(E)-prop-1-enyl]-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 139462791
4-[[(2R)-1,1-difluoropropan-2-yl]sulfamoyl]-N-[4-fluoro-2-(fluoromethyl)-3-methylphenyl]-1-methylpyrrole-2-carboxamide
CID 146384258

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane (CID 159175155) is N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane is Cc1cc(NC(=O)c2cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2C)ccc1F.S.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane?
The InChIKey is KMEKVSVQAOUNIW-PPHPATTJSA-N. The full InChI is InChI=1S/C16H17F4N3O3S.H2S/c1-9-6-11(4-5-13(9)17)21-15(24)14-7-12(8-23(14)3)27(25,26)22-10(2)16(18,19)20;/h4-8,10,22H,1-3H3,(H,21,24);1H2/t10-;/m0./s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane?
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane has a molecular weight of 441.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane is sourced from PubChem (CID 159175155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).