4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane

C60H50Cl2N10O4S — CID 144611468

IUPAC4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane
SMILESCC.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C32H24ClN5O3S.C26H20ClN5O.C2H6/c33-28-17-18-30(35-23-7-6-8-24(19-23)36-32(39)21-13-15-22(34)16-14-21)37-31(28)27-20-38(29-12-5-4-11-26(27)29)42(40,41)25-9-2-1-3-10-25;27-22-12-13-24(32-25(22)21-15-29-23-7-2-1-6-20(21)23)30-18-4-3-5-19(14-18)31-26(33)16-8-10-17(28)11-9-16;1-2/h1-20H,34H2,(H,35,37)(H,36,39);1-15,29H,28H2,(H,30,32)(H,31,33);1-2H3
InChIKeyPTRDROBMOMYIES-UHFFFAOYSA-N
MW1078.10 g/mol
LogP14.66
Rot. Bonds12

About 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane

4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane (PubChem CID 144611468) has the molecular formula C60H50Cl2N10O4S and a molecular weight of 1078.10 g/mol. Its IUPAC name is 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane.

Molecular Properties

Compound Name4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane
PubChem CID144611468
Molecular FormulaC60H50Cl2N10O4S
Molecular Weight1078.10 g/mol
Exact Mass1076.31
IUPAC Name4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane
SMILESCC.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)c2)cc1
InChIInChI=1S/C32H24ClN5O3S.C26H20ClN5O.C2H6/c33-28-17-18-30(35-23-7-6-8-24(19-23)36-32(39)21-13-15-22(34)16-14-21)37-31(28)27-20-38(29-12-5-4-11-26(27)29)42(40,41)25-9-2-1-3-10-25;27-22-12-13-24(32-25(22)21-15-29-23-7-2-1-6-20(21)23)30-18-4-3-5-19(14-18)31-26(33)16-8-10-17(28)11-9-16;1-2/h1-20H,34H2,(H,35,37)(H,36,39);1-15,29H,28H2,(H,30,32)(H,31,33);1-2H3
InChIKeyPTRDROBMOMYIES-UHFFFAOYSA-N
XLogP14.66
TPSA214.94 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001078.10
LogP ≤ 514.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane with MolForge

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Related Compounds

N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 74221541
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-(prop-2-enoylamino)benzamide
CID 155921946
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[3-(ethylsulfanylamino)-3-oxopropyl]amino]benzamide
CID 155921948
(R,E)-N-(4-(3-((5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide
CID 118025506
(R)-(3-((5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)amino)piperidin-1-yl)(4-nitrophenyl)methanone
CID 118033818
(R)-(4-aminophenyl)(3-((5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)amino)piperidin-1-yl)methanone
CID 121486732
4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]pyrimidin-4-yl]amino]phenyl]benzamide
CID 124157156
6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide
CID 69329803
(4-amino-2-fluorophenyl)(4-(5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)methanone
CID 118025094
[4-[[3-[[4-[1-(Benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]-5-fluorocyclohexyl]carbamoyl]phenyl]carbamic acid
CID 118025145
(4-aminophenyl)(3-((5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-ylamino)methyl)piperidin-1-yl)methanone trifluoroacetic acid salt
CID 118025146
4-amino-N-((1S,3R)-3-(5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-ylamino)cyclohexyl)-2-fluorobenzamide
CID 118025380

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane?
The IUPAC name of 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane (CID 144611468) is 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane.
What is the SMILES notation for 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane?
The canonical SMILES for 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane is CC.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1.Nc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane?
The InChIKey is PTRDROBMOMYIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClN5O3S.C26H20ClN5O.C2H6/c33-28-17-18-30(35-23-7-6-8-24(19-23)36-32(39)21-13-15-22(34)16-14-21)37-31(28)27-20-38(29-12-5-4-11-26(27)29)42(40,41)25-9-2-1-3-10-25;27-22-12-13-24(32-25(22)21-15-29-23-7-2-1-6-20(21)23)30-18-4-3-5-19(14-18)31-26(33)16-8-10-17(28)11-9-16;1-2/h1-20H,34H2,(H,35,37)(H,36,39);1-15,29H,28H2,(H,30,32)(H,31,33);1-2H3.
What are the key properties of 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane?
4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane has a molecular weight of 1078.10 g/mol, XLogP of 14.66, 12 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[[6-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-2-pyridinyl]amino]phenyl]benzamide;4-amino-N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]benzamide;ethane is sourced from PubChem (CID 144611468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).