N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

C14H13F3N4O3S2 — CID 46519227

IUPACN-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H13F3N4O3S2/c1-8(25-13-19-7-6-11(21-13)14(15,16)17)12(22)20-9-2-4-10(5-3-9)26(18,23)24/h2-8H,1H3,(H,20,22)(H2,18,23,24)
InChIKeyNJKCIMHMMZFCBR-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.26
Rot. Bonds5

About N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (PubChem CID 46519227) has the molecular formula C14H13F3N4O3S2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
PubChem CID46519227
Molecular FormulaC14H13F3N4O3S2
Molecular Weight406.41 g/mol
Exact Mass406.04
IUPAC NameN-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H13F3N4O3S2/c1-8(25-13-19-7-6-11(21-13)14(15,16)17)12(22)20-9-2-4-10(5-3-9)26(18,23)24/h2-8H,1H3,(H,20,22)(H2,18,23,24)
InChIKeyNJKCIMHMMZFCBR-UHFFFAOYSA-N
XLogP2.26
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide 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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519193
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46540580
2,2-dimethyl-N-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]phenyl]propanamide
CID 55521769
N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 75799947
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
(2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7908438
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 134026484
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152230
(2R)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006002
(2S)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006001

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (CID 46519227) is N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is CC(Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The InChIKey is NJKCIMHMMZFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3S2/c1-8(25-13-19-7-6-11(21-13)14(15,16)17)12(22)20-9-2-4-10(5-3-9)26(18,23)24/h2-8H,1H3,(H,20,22)(H2,18,23,24).
What are the key properties of N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide has a molecular weight of 406.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46519227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).