N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide

C23H24ClN3O5S — CID 118137846

IUPACN-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2
InChIInChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3
InChIKeyKDSKWYPIXDDXEG-UHFFFAOYSA-N
MW489.98 g/mol
LogP4.37
Rot. Bonds3

About N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide

N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide (PubChem CID 118137846) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
PubChem CID118137846
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC NameN-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2
InChIInChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3
InChIKeyKDSKWYPIXDDXEG-UHFFFAOYSA-N
XLogP4.37
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide with MolForge

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Related Compounds

N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118138005
4-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)butanamide
CID 654203
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-pyridin-3-yloxyphenyl]ethanesulfonamide
CID 72548032
12-Chloro-4-ethylsulfonyl-23-methyl-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137754
12-Chloro-23-methyl-4-(methylsulfonylmethyl)-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137765
N-[6-(2,4-difluorophenoxy)-5-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 137635588
N-[6-(4-fluoro-2,6-dimethylphenoxy)-5-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 175880760
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 100780258
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-prop-2-enoxy-3-pyridinyl)propanamide
CID 100780262
2-[4-Chloro-2-methyl-5-(pyridin-3-ylsulfamoyl)phenoxy]acetamide
CID 992276
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide
CID 71882580
3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide
CID 71892311

Frequently Asked Questions

What is the IUPAC name of N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide?
The IUPAC name of N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide (CID 118137846) is N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide?
The canonical SMILES for N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2.
What is the InChIKey of N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide?
The InChIKey is KDSKWYPIXDDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3.
What are the key properties of N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide?
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide has a molecular weight of 489.98 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide is sourced from PubChem (CID 118137846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).