1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide

C20H26N6O4S2 — CID 69308506

IUPAC1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide
SMILESCS(=O)(=O)CNC1CCC(Nc2nccc(-n3cc(S(N)(=O)=O)c4ccccc43)n2)CC1
InChIInChI=1S/C20H26N6O4S2/c1-31(27,28)13-23-14-6-8-15(9-7-14)24-20-22-11-10-19(25-20)26-12-18(32(21,29)30)16-4-2-3-5-17(16)26/h2-5,10-12,14-15,23H,6-9,13H2,1H3,(H2,21,29,30)(H,22,24,25)
InChIKeyLQHRODILLXDMLU-UHFFFAOYSA-N
MW478.60 g/mol
LogP1.38
Rot. Bonds7

About 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide

1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide (PubChem CID 69308506) has the molecular formula C20H26N6O4S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide.

Molecular Properties

Compound Name1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide
PubChem CID69308506
Molecular FormulaC20H26N6O4S2
Molecular Weight478.60 g/mol
Exact Mass478.15
IUPAC Name1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide
SMILESCS(=O)(=O)CNC1CCC(Nc2nccc(-n3cc(S(N)(=O)=O)c4ccccc43)n2)CC1
InChIInChI=1S/C20H26N6O4S2/c1-31(27,28)13-23-14-6-8-15(9-7-14)24-20-22-11-10-19(25-20)26-12-18(32(21,29)30)16-4-2-3-5-17(16)26/h2-5,10-12,14-15,23H,6-9,13H2,1H3,(H2,21,29,30)(H,22,24,25)
InChIKeyLQHRODILLXDMLU-UHFFFAOYSA-N
XLogP1.38
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide with MolForge

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Related Compounds

methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-3-carboxylate
CID 24959893
2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
CID 89431859
N-[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]-N-methylmethanesulfonamide
CID 59743348
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
CID 143687462
N-[4-[[4-[4-(2-methylsulfonylethoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 59743420
sodium 4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 86659980
N-(4,4-difluorocyclohexyl)-4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-amine
CID 59743431
4-[1-[2-[[4-(methanesulfonamido)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazine-1-carboxamide
CID 50943589
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide;methanesulfonic acid
CID 24823664
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
CID 24823662
4-[[4-[4-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743509

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide?
The IUPAC name of 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide (CID 69308506) is 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide.
What is the SMILES notation for 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide?
The canonical SMILES for 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide is CS(=O)(=O)CNC1CCC(Nc2nccc(-n3cc(S(N)(=O)=O)c4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide?
The InChIKey is LQHRODILLXDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S2/c1-31(27,28)13-23-14-6-8-15(9-7-14)24-20-22-11-10-19(25-20)26-12-18(32(21,29)30)16-4-2-3-5-17(16)26/h2-5,10-12,14-15,23H,6-9,13H2,1H3,(H2,21,29,30)(H,22,24,25).
What are the key properties of 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide?
1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide has a molecular weight of 478.60 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(methylsulfonylmethylamino)cyclohexyl]amino]pyrimidin-4-yl]indole-3-sulfonamide is sourced from PubChem (CID 69308506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).