3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide

C20H21N7O2S — CID 10273854

IUPAC3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc2n1C
InChIInChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)
InChIKeyFUUMHDABRAONFV-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.83
Rot. Bonds5

About 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide

3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 10273854) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID10273854
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc2n1C
InChIInChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)
InChIKeyFUUMHDABRAONFV-UHFFFAOYSA-N
XLogP2.83
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pf-05212377
CID 46203710
DB-02197
CID 5288527
4-((4-(1-Cyclopropyl-2-methyl-1H-imidazol-5-YL)pyrimidin-2-YL)amino)-N-methylbenzenesulfonamide
CID 24901723
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
Pyrrolopyrimidine 20
CID 23646632
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide (CID 10273854) is 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide is Cc1nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc2n1C.
What is the InChIKey of 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is FUUMHDABRAONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25).
What are the key properties of 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide?
3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 10273854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).