N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide

C27H25ClN2O6S — CID 19219104

IUPACN-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(N(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25ClN2O6S/c1-36-21-14-12-20(13-15-21)30(37(34,35)22-16-10-19(28)11-17-22)25(31)9-3-2-6-18-29-26(32)23-7-4-5-8-24(23)27(29)33/h4-5,7-8,10-17H,2-3,6,9,18H2,1H3
InChIKeyAYFKXLAMCPZLHF-UHFFFAOYSA-N
MW541.03 g/mol
LogP4.93
Rot. Bonds10

About N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide

N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide (PubChem CID 19219104) has the molecular formula C27H25ClN2O6S and a molecular weight of 541.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
PubChem CID19219104
Molecular FormulaC27H25ClN2O6S
Molecular Weight541.03 g/mol
Exact Mass540.11
IUPAC NameN-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(N(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25ClN2O6S/c1-36-21-14-12-20(13-15-21)30(37(34,35)22-16-10-19(28)11-17-22)25(31)9-3-2-6-18-29-26(32)23-7-4-5-8-24(23)27(29)33/h4-5,7-8,10-17H,2-3,6,9,18H2,1H3
InChIKeyAYFKXLAMCPZLHF-UHFFFAOYSA-N
XLogP4.93
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219040
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219033
N-(4-butylphenyl)-6-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylhexanamide
CID 19219107
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
N-(benzenesulfonyl)-4-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19219241
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide (CID 19219104) is N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide is COc1ccc(N(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide?
The InChIKey is AYFKXLAMCPZLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O6S/c1-36-21-14-12-20(13-15-21)30(37(34,35)22-16-10-19(28)11-17-22)25(31)9-3-2-6-18-29-26(32)23-7-4-5-8-24(23)27(29)33/h4-5,7-8,10-17H,2-3,6,9,18H2,1H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide?
N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide has a molecular weight of 541.03 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 19219104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).