5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide

C16H13ClN4O3S3 — CID 43067121

IUPAC5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C16H13ClN4O3S3/c1-25-16-18-9-10(17)14(20-16)15(22)19-11-5-2-3-6-12(11)21-27(23,24)13-7-4-8-26-13/h2-9,21H,1H3,(H,19,22)
InChIKeyLTFUCDWVBPPXOK-UHFFFAOYSA-N
MW440.96 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide

5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide (PubChem CID 43067121) has the molecular formula C16H13ClN4O3S3 and a molecular weight of 440.96 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide
PubChem CID43067121
Molecular FormulaC16H13ClN4O3S3
Molecular Weight440.96 g/mol
Exact Mass439.98
IUPAC Name5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C16H13ClN4O3S3/c1-25-16-18-9-10(17)14(20-16)15(22)19-11-5-2-3-6-12(11)21-27(23,24)13-7-4-8-26-13/h2-9,21H,1H3,(H,19,22)
InChIKeyLTFUCDWVBPPXOK-UHFFFAOYSA-N
XLogP3.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-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

5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 43052974
5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24673165
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 38869455
5-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 2237376
5-chloro-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 36860018
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
CID 51094585
5-chloro-N-(2,2-diphenylpropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653889
5-chloro-N-[3-(2,3-dimethylanilino)-3-oxopropyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51065466
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide (CID 43067121) is 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide?
The InChIKey is LTFUCDWVBPPXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S3/c1-25-16-18-9-10(17)14(20-16)15(22)19-11-5-2-3-6-12(11)21-27(23,24)13-7-4-8-26-13/h2-9,21H,1H3,(H,19,22).
What are the key properties of 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide?
5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide has a molecular weight of 440.96 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 43067121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).