4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide

C28H26ClNO4S — CID 23945504

IUPAC4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
SMILESCc1cc(C)c(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc3oc4c(c3c2)CCCC4)cc1C
InChIInChI=1S/C28H26ClNO4S/c1-17-14-19(3)27(15-18(17)2)35(32,33)30(28(31)20-8-10-21(29)11-9-20)22-12-13-26-24(16-22)23-6-4-5-7-25(23)34-26/h8-16H,4-7H2,1-3H3
InChIKeyLXBBNBGECDPWQW-UHFFFAOYSA-N
MW508.04 g/mol
LogP6.93
Rot. Bonds4

About 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide

4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide (PubChem CID 23945504) has the molecular formula C28H26ClNO4S and a molecular weight of 508.04 g/mol. Its IUPAC name is 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
PubChem CID23945504
Molecular FormulaC28H26ClNO4S
Molecular Weight508.04 g/mol
Exact Mass507.13
IUPAC Name4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
SMILESCc1cc(C)c(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc3oc4c(c3c2)CCCC4)cc1C
InChIInChI=1S/C28H26ClNO4S/c1-17-14-19(3)27(15-18(17)2)35(32,33)30(28(31)20-8-10-21(29)11-9-20)22-12-13-26-24(16-22)23-6-4-5-7-25(23)34-26/h8-16H,4-7H2,1-3H3
InChIKeyLXBBNBGECDPWQW-UHFFFAOYSA-N
XLogP6.93
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.04
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide (CID 23945504) is 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide is Cc1cc(C)c(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc3oc4c(c3c2)CCCC4)cc1C.
What is the InChIKey of 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide?
The InChIKey is LXBBNBGECDPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClNO4S/c1-17-14-19(3)27(15-18(17)2)35(32,33)30(28(31)20-8-10-21(29)11-9-20)22-12-13-26-24(16-22)23-6-4-5-7-25(23)34-26/h8-16H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide?
4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide has a molecular weight of 508.04 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide is sourced from PubChem (CID 23945504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).