4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine

C18H12Cl2N4O2S — CID 118737108

IUPAC4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)n1
InChIInChI=1S/C18H12Cl2N4O2S/c19-11-5-6-17(14(20)9-11)27(25,26)24-10-13(12-3-1-2-4-16(12)24)15-7-8-22-18(21)23-15/h1-10H,(H2,21,22,23)
InChIKeyQVVNEQBEKAKXOC-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.22
Rot. Bonds3

About 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine

4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine (PubChem CID 118737108) has the molecular formula C18H12Cl2N4O2S and a molecular weight of 419.29 g/mol. Its IUPAC name is 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
PubChem CID118737108
Molecular FormulaC18H12Cl2N4O2S
Molecular Weight419.29 g/mol
Exact Mass418.01
IUPAC Name4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)n1
InChIInChI=1S/C18H12Cl2N4O2S/c19-11-5-6-17(14(20)9-11)27(25,26)24-10-13(12-3-1-2-4-16(12)24)15-7-8-22-18(21)23-15/h1-10H,(H2,21,22,23)
InChIKeyQVVNEQBEKAKXOC-UHFFFAOYSA-N
XLogP4.22
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine 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

1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114
1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 90468813
1-(3,4-Dichlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469119
1-(3-Chlorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469380
1-[(2,4-dichlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
CID 1491483
4-chloro-N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)benzenesulfonamide
CID 15944833
1-(2,4-Dichlorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 137640966
1-(2,6-Dichlorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 137654042
4-[5-(4-Chlorophenyl)-4-(2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162649664
4-[4-Chloro-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162659694
4-[4-(4-Chloroanilino)-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162663253
4-[4-(Benzylamino)-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162665148

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine (CID 118737108) is 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine is Nc1nccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)n1.
What is the InChIKey of 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine?
The InChIKey is QVVNEQBEKAKXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S/c19-11-5-6-17(14(20)9-11)27(25,26)24-10-13(12-3-1-2-4-16(12)24)15-7-8-22-18(21)23-15/h1-10H,(H2,21,22,23).
What are the key properties of 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine?
4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine has a molecular weight of 419.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 118737108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).