4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide

C82H92ClFN6O14S6 — CID 135230165

IUPAC4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OCc3ccc(F)c(CN(Cc4ccccc4)S(=O)(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)c3)c(OC)c2)C2CCCCC2Cc2ccc(CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C82H92ClFN6O14S6/c1-4-71-27-17-18-50-89(71)109(99,100)76-44-46-77(47-45-76)110(101,102)90(80-29-16-12-23-67(80)51-61-30-32-64(33-31-61)56-87(58-68-24-11-15-28-78(68)83)107(95,96)74-38-36-72(37-39-74)105(91,92)85-70-25-13-14-26-70)57-65-35-49-81(82(53-65)103-3)104-60-66-34-48-79(84)69(52-66)59-88(55-63-21-9-6-10-22-63)108(97,98)75-42-40-73(41-43-75)106(93,94)86(2)54-62-19-7-5-8-20-62/h5-11,15,19-22,24,28,30-49,52-53,67,70-71,80,85H,4,12-14,16-18,23,25-27,29,50-51,54-60H2,1-3H3
InChIKeyLBYNJNUKLFJKHO-UHFFFAOYSA-N
MW1632.52 g/mol
LogP14.84
Rot. Bonds33

About 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide

4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide (PubChem CID 135230165) has the molecular formula C82H92ClFN6O14S6 and a molecular weight of 1632.52 g/mol. Its IUPAC name is 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide
PubChem CID135230165
Molecular FormulaC82H92ClFN6O14S6
Molecular Weight1632.52 g/mol
Exact Mass1630.47
IUPAC Name4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OCc3ccc(F)c(CN(Cc4ccccc4)S(=O)(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)c3)c(OC)c2)C2CCCCC2Cc2ccc(CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C82H92ClFN6O14S6/c1-4-71-27-17-18-50-89(71)109(99,100)76-44-46-77(47-45-76)110(101,102)90(80-29-16-12-23-67(80)51-61-30-32-64(33-31-61)56-87(58-68-24-11-15-28-78(68)83)107(95,96)74-38-36-72(37-39-74)105(91,92)85-70-25-13-14-26-70)57-65-35-49-81(82(53-65)103-3)104-60-66-34-48-79(84)69(52-66)59-88(55-63-21-9-6-10-22-63)108(97,98)75-42-40-73(41-43-75)106(93,94)86(2)54-62-19-7-5-8-20-62/h5-11,15,19-22,24,28,30-49,52-53,67,70-71,80,85H,4,12-14,16-18,23,25-27,29,50-51,54-60H2,1-3H3
InChIKeyLBYNJNUKLFJKHO-UHFFFAOYSA-N
XLogP14.84
TPSA251.53 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.52
LogP ≤ 514.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide with MolForge

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 1176420
N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 23909328
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 98104560
(2S)-1-(benzenesulfonyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 30838799
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581
N-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1176690
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide (CID 135230165) is 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide is CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OCc3ccc(F)c(CN(Cc4ccccc4)S(=O)(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)c3)c(OC)c2)C2CCCCC2Cc2ccc(CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide?
The InChIKey is LBYNJNUKLFJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H92ClFN6O14S6/c1-4-71-27-17-18-50-89(71)109(99,100)76-44-46-77(47-45-76)110(101,102)90(80-29-16-12-23-67(80)51-61-30-32-64(33-31-61)56-87(58-68-24-11-15-28-78(68)83)107(95,96)74-38-36-72(37-39-74)105(91,92)85-70-25-13-14-26-70)57-65-35-49-81(82(53-65)103-3)104-60-66-34-48-79(84)69(52-66)59-88(55-63-21-9-6-10-22-63)108(97,98)75-42-40-73(41-43-75)106(93,94)86(2)54-62-19-7-5-8-20-62/h5-11,15,19-22,24,28,30-49,52-53,67,70-71,80,85H,4,12-14,16-18,23,25-27,29,50-51,54-60H2,1-3H3.
What are the key properties of 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide?
4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide has a molecular weight of 1632.52 g/mol, XLogP of 14.84, 33 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-[[2-[[4-[[3-[[benzyl-[4-[benzyl(methyl)sulfamoyl]phenyl]sulfonylamino]methyl]-4-fluorophenyl]methoxy]-3-methoxyphenyl]methyl-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]cyclohexyl]methyl]phenyl]methyl]-4-N-[(2-chlorophenyl)methyl]-1-N-cyclopentylbenzene-1,4-disulfonamide is sourced from PubChem (CID 135230165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).