2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide

C24H21ClN2O4S2 — CID 4918844

IUPAC2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccc(S(=O)(=O)N4CCCC4)cc23)c1
InChIInChI=1S/C24H21ClN2O4S2/c1-32-16-5-8-21(25)20(13-16)24(28)26-15-4-7-18-19-14-17(6-9-22(19)31-23(18)12-15)33(29,30)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,28)
InChIKeyUOYXKEPUZIHZIQ-UHFFFAOYSA-N
MW501.03 g/mol
LogP6.00
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide

2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide (PubChem CID 4918844) has the molecular formula C24H21ClN2O4S2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide
PubChem CID4918844
Molecular FormulaC24H21ClN2O4S2
Molecular Weight501.03 g/mol
Exact Mass500.06
IUPAC Name2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccc(S(=O)(=O)N4CCCC4)cc23)c1
InChIInChI=1S/C24H21ClN2O4S2/c1-32-16-5-8-21(25)20(13-16)24(28)26-15-4-7-18-19-14-17(6-9-22(19)31-23(18)12-15)33(29,30)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,28)
InChIKeyUOYXKEPUZIHZIQ-UHFFFAOYSA-N
XLogP6.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 26523987
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55480384
2-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2466484
2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide (CID 4918844) is 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccc(S(=O)(=O)N4CCCC4)cc23)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide?
The InChIKey is UOYXKEPUZIHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S2/c1-32-16-5-8-21(25)20(13-16)24(28)26-15-4-7-18-19-14-17(6-9-22(19)31-23(18)12-15)33(29,30)27-10-2-3-11-27/h4-9,12-14H,2-3,10-11H2,1H3,(H,26,28).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide?
2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide has a molecular weight of 501.03 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide is sourced from PubChem (CID 4918844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).