4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C14H14N6O2S — CID 22273547

IUPAC4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)[nH]1
InChIInChI=1S/C14H14N6O2S/c1-9-17-8-13(18-9)12-6-7-16-14(20-12)19-10-2-4-11(5-3-10)23(15,21)22/h2-8H,1H3,(H,17,18)(H2,15,21,22)(H,16,19,20)
InChIKeyIQSFAMSAFMMKSL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.57
Rot. Bonds4

About 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 22273547) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID22273547
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)[nH]1
InChIInChI=1S/C14H14N6O2S/c1-9-17-8-13(18-9)12-6-7-16-14(20-12)19-10-2-4-11(5-3-10)23(15,21)22/h2-8H,1H3,(H,17,18)(H2,15,21,22)(H,16,19,20)
InChIKeyIQSFAMSAFMMKSL-UHFFFAOYSA-N
XLogP1.57
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-[[4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58482950
N-(2-methoxyethyl)-4-[[4-[2-(2-methyl-1-oxopropan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 87890834
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
tert-butyl 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate;tert-butyl 4-[2-[(6-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate;tert-butyl 3,5-dimethyl-4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate
CID 158412377
4-[[4-[5-[2-(4-aminophenyl)ethynyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 11539619
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
N-(4-chlorophenyl)-4-(2-phenyl-1H-imidazol-5-yl)pyrimidin-2-amine
CID 71378975
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 22273547) is 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)[nH]1.
What is the InChIKey of 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is IQSFAMSAFMMKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-17-8-13(18-9)12-6-7-16-14(20-12)19-10-2-4-11(5-3-10)23(15,21)22/h2-8H,1H3,(H,17,18)(H2,15,21,22)(H,16,19,20).
What are the key properties of 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 22273547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).