N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide

C20H22ClN5O2S — CID 141292404

IUPACN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1nc(-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)c(-c2ccncn2)[nH]1
InChIInChI=1S/C20H22ClN5O2S/c1-20(2,3)19-24-17(18(25-19)16-6-7-22-11-23-16)12-8-13(21)10-14(9-12)26-29(27,28)15-4-5-15/h6-11,15,26H,4-5H2,1-3H3,(H,24,25)
InChIKeyRKKZSJLZIVGEKP-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.39
Rot. Bonds5

About N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide

N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide (PubChem CID 141292404) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide
PubChem CID141292404
Molecular FormulaC20H22ClN5O2S
Molecular Weight431.95 g/mol
Exact Mass431.12
IUPAC NameN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1nc(-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)c(-c2ccncn2)[nH]1
InChIInChI=1S/C20H22ClN5O2S/c1-20(2,3)19-24-17(18(25-19)16-6-7-22-11-23-16)12-8-13(21)10-14(9-12)26-29(27,28)15-4-5-15/h6-11,15,26H,4-5H2,1-3H3,(H,24,25)
InChIKeyRKKZSJLZIVGEKP-UHFFFAOYSA-N
XLogP4.39
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide 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-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 141350487
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide
CID 141292398
N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide
CID 141292396
1-[[4-[2-tert-butyl-4-[3-chloro-5-(1,1,2-trifluoroethylsulfonylamino)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
CID 90465608
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
S-[[4-(4-chlorophenyl)-5-pyrimidin-4-yl-1H-imidazol-2-yl]] N-phenylcarbamothioate
CID 54198860
3-anilino-6,6-dimethyl-2-pyrimidin-4-yl-5,7-dihydro-1H-indol-4-one;3-(3-chloroanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607222
1-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1H-imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 118319483
N-(3-chlorophenyl)-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 171348556
2-[[4-(4-chlorophenyl)-5-pyrimidin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile
CID 54382447
N-(6-chloro-3-pyridinyl)cyclopropanesulfonamide
CID 103649273
4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
CID 71282748

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide (CID 141292404) is N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide is CC(C)(C)c1nc(-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)c(-c2ccncn2)[nH]1.
What is the InChIKey of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide?
The InChIKey is RKKZSJLZIVGEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S/c1-20(2,3)19-24-17(18(25-19)16-6-7-22-11-23-16)12-8-13(21)10-14(9-12)26-29(27,28)15-4-5-15/h6-11,15,26H,4-5H2,1-3H3,(H,24,25).
What are the key properties of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide?
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide has a molecular weight of 431.95 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 141292404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).