N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide

C21H21ClN4O3S — CID 110161682

IUPACN-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O3S/c1-15-17(20(27)25-30(28,29)19-11-7-6-10-18(19)22)14-23-21(24-15)26(2)13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyFFJMOZAUAKRHBK-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.24
Rot. Bonds7

About N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide

N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide (PubChem CID 110161682) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide
PubChem CID110161682
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC NameN-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O3S/c1-15-17(20(27)25-30(28,29)19-11-7-6-10-18(19)22)14-23-21(24-15)26(2)13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyFFJMOZAUAKRHBK-UHFFFAOYSA-N
XLogP3.24
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide (CID 110161682) is N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide is Cc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide?
The InChIKey is FFJMOZAUAKRHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-15-17(20(27)25-30(28,29)19-11-7-6-10-18(19)22)14-23-21(24-15)26(2)13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-4-methyl-2-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 110161682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).