N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C19H22N6O2S — CID 10294302

IUPACN-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)n2)n1C
InChIInChI=1S/C19H22N6O2S/c1-13-21-12-18(25(13)2)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)28(26,27)22-11-14-3-4-14/h5-10,12,14,22H,3-4,11H2,1-2H3,(H,20,23,24)
InChIKeyBUPDQZDNTBNFFR-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.62
Rot. Bonds7

About N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 10294302) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID10294302
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)n2)n1C
InChIInChI=1S/C19H22N6O2S/c1-13-21-12-18(25(13)2)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)28(26,27)22-11-14-3-4-14/h5-10,12,14,22H,3-4,11H2,1-2H3,(H,20,23,24)
InChIKeyBUPDQZDNTBNFFR-UHFFFAOYSA-N
XLogP2.62
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide 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-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68882403
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69314380
4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142660390
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
4-[[4-[3-(cyclopropylmethyl)-2-(2-methylprop-1-enyl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 68881901
4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-propylsulfonylphenyl)pyrimidin-2-amine
CID 44588964
N,N-diethyl-4-[[4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 16665956
4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
CID 6539026
N-(cyclopropylmethyl)-4-[[4-[5-(2-methoxybuta-1,3-dienyl)-6-methyl-3,4-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 90940042
N-(cyclopropylmethyl)-4-[[4-(6-methoxy-2,3,4,7-tetrahydrocyclohepta[b]pyridin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 137484270
4-[[5-bromo-4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]-N-(cyclopropylmethyl)benzenesulfonamide
CID 58891351

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 10294302) is N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)n2)n1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is BUPDQZDNTBNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-21-12-18(25(13)2)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)28(26,27)22-11-14-3-4-14/h5-10,12,14,22H,3-4,11H2,1-2H3,(H,20,23,24).
What are the key properties of N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 10294302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).