N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)

C99H98Cl4N8O20S4 — CID 91365378

IUPACN-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C25H25ClN2O5S.2C25H26N2O5S.C24H21Cl3N2O5S/c1-4-23(34(32,33)18-7-5-6-16(3)12-18)25(31)27-20-14-22(29)21(13-19(20)26)28-24(30)17-10-8-15(2)9-11-17;2*1-4-23(33(31,32)20-10-6-8-17(3)14-20)25(30)26-19-11-12-21(22(28)15-19)27-24(29)18-9-5-7-16(2)13-18;1-3-22(35(33,34)15-6-4-5-13(2)9-15)24(32)28-19-12-21(30)20(11-18(19)27)29-23(31)14-7-8-16(25)17(26)10-14/h5-14,23,29H,4H2,1-3H3,(H,27,31)(H,28,30);2*5-15,23,28H,4H2,1-3H3,(H,26,30)(H,27,29);4-12,22,30H,3H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyIZRUDNFAJJKKII-UHFFFAOYSA-N
MW1989.99 g/mol
LogP20.11
Rot. Bonds28

About N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)

N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) (PubChem CID 91365378) has the molecular formula C99H98Cl4N8O20S4 and a molecular weight of 1989.99 g/mol. Its IUPAC name is N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide).

Molecular Properties

Compound NameN-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
PubChem CID91365378
Molecular FormulaC99H98Cl4N8O20S4
Molecular Weight1989.99 g/mol
Exact Mass1986.45
IUPAC NameN-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C25H25ClN2O5S.2C25H26N2O5S.C24H21Cl3N2O5S/c1-4-23(34(32,33)18-7-5-6-16(3)12-18)25(31)27-20-14-22(29)21(13-19(20)26)28-24(30)17-10-8-15(2)9-11-17;2*1-4-23(33(31,32)20-10-6-8-17(3)14-20)25(30)26-19-11-12-21(22(28)15-19)27-24(29)18-9-5-7-16(2)13-18;1-3-22(35(33,34)15-6-4-5-13(2)9-15)24(32)28-19-12-21(30)20(11-18(19)27)29-23(31)14-7-8-16(25)17(26)10-14/h5-14,23,29H,4H2,1-3H3,(H,27,31)(H,28,30);2*5-15,23,28H,4H2,1-3H3,(H,26,30)(H,27,29);4-12,22,30H,3H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyIZRUDNFAJJKKII-UHFFFAOYSA-N
XLogP20.11
TPSA450.28 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001989.99
LogP ≤ 520.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-(methylideneamino)benzamide
CID 22952651
N-[4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 20607003
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
CID 18740299
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-phenoxybutanamide
CID 20665617
N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,4-dimethylphenyl)sulfonylpropanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 90889339
3-chloro-N-[5-chloro-2-hydroxy-4-[2-(2-methylpyrimidin-5-yl)sulfonylbutanoylamino]phenyl]-4-fluorobenzamide
CID 59935585
N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]naphthalene-2-carboxamide
CID 22955775
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 59941888
N-(4-formamido-3-hydroxyphenyl)-2-(3-methylphenyl)sulfonylbutanamide;4-methylbenzonitrile
CID 90802618

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)?
The IUPAC name of N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) (CID 91365378) is N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide).
What is the SMILES notation for N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)?
The canonical SMILES for N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) is CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1.CCC(C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)?
The InChIKey is IZRUDNFAJJKKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O5S.2C25H26N2O5S.C24H21Cl3N2O5S/c1-4-23(34(32,33)18-7-5-6-16(3)12-18)25(31)27-20-14-22(29)21(13-19(20)26)28-24(30)17-10-8-15(2)9-11-17;2*1-4-23(33(31,32)20-10-6-8-17(3)14-20)25(30)26-19-11-12-21(22(28)15-19)27-24(29)18-9-5-7-16(2)13-18;1-3-22(35(33,34)15-6-4-5-13(2)9-15)24(32)28-19-12-21(30)20(11-18(19)27)29-23(31)14-7-8-16(25)17(26)10-14/h5-14,23,29H,4H2,1-3H3,(H,27,31)(H,28,30);2*5-15,23,28H,4H2,1-3H3,(H,26,30)(H,27,29);4-12,22,30H,3H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)?
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) has a molecular weight of 1989.99 g/mol, XLogP of 20.11, 28 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide) is sourced from PubChem (CID 91365378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).