4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane

C59H50Cl2N12O4S — CID 144611477

About 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane

4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane (PubChem CID 144611477) has the molecular formula C59H50Cl2N12O4S and a molecular weight of 1094.10 g/mol. Its IUPAC name is 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane.

Molecular Properties

• Compound Name: 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane
• PubChem CID: 144611477
• Molecular Formula: C59H50Cl2N12O4S
• Molecular Weight: 1094.10 g/mol
• Exact Mass: 1092.32
• IUPAC Name: 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane
• SMILES: C.CN(C(=O)c1ccc(N)cc1)c1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c1.CN(C(=O)c1ccc(N)cc1)c1cccc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)c1
• InChI: InChI=1S/C32H25ClN6O3S.C26H21ClN6O.CH4/c1-38(31(40)21-14-16-22(34)17-15-21)24-9-7-8-23(18-24)36-32-35-19-28(33)30(37-32)27-20-39(29-13-6-5-12-26(27)29)43(41,42)25-10-3-2-4-11-25;1-33(25(34)16-9-11-17(28)12-10-16)19-6-4-5-18(13-19)31-26-30-15-22(27)24(32-26)21-14-29-23-8-3-2-7-20(21)23;/h2-20H,34H2,1H3,(H,35,36,37);2-15,29H,28H2,1H3,(H,30,31,32);1H4
• InChIKey: QWWQWNMEJSYGHJ-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 223.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1094.10
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane?

The IUPAC name of 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane (CID 144611477) is 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane.

What is the SMILES notation for 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane?

The canonical SMILES for 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane is C.CN(C(=O)c1ccc(N)cc1)c1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c1.CN(C(=O)c1ccc(N)cc1)c1cccc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)c1.

What is the InChIKey of 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane?

The InChIKey is QWWQWNMEJSYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN6O3S.C26H21ClN6O.CH4/c1-38(31(40)21-14-16-22(34)17-15-21)24-9-7-8-23(18-24)36-32-35-19-28(33)30(37-32)27-20-39(29-13-6-5-12-26(27)29)43(41,42)25-10-3-2-4-11-25;1-33(25(34)16-9-11-17(28)12-10-16)19-6-4-5-18(13-19)31-26-30-15-22(27)24(32-26)21-14-29-23-8-3-2-7-20(21)23;/h2-20H,34H2,1H3,(H,35,36,37);2-15,29H,28H2,1H3,(H,30,31,32);1H4.

What are the key properties of 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane?

4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane has a molecular weight of 1094.10 g/mol, XLogP of 13.11, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide;methane is sourced from PubChem (CID 144611477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).