N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide

C23H31ClN2O5S — CID 164799237

IUPACN-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide
SMILESO=C1COc2ccc(Cl)cc2C2CCC(CC2)OCC2[C@@H](NS(=O)(=O)C3CC3)CCCN12
InChIInChI=1S/C23H31ClN2O5S/c24-16-5-10-22-19(12-16)15-3-6-17(7-4-15)30-13-21-20(25-32(28,29)18-8-9-18)2-1-11-26(21)23(27)14-31-22/h5,10,12,15,17-18,20-21,25H,1-4,6-9,11,13-14H2/t15?,17?,20-,21?/m0/s1
InChIKeyBZQCSNJEDGZOIE-IUXFZGPCSA-N
MW483.03 g/mol
LogP3.22
Rot. Bonds3

About N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide

N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide (PubChem CID 164799237) has the molecular formula C23H31ClN2O5S and a molecular weight of 483.03 g/mol. Its IUPAC name is N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide
PubChem CID164799237
Molecular FormulaC23H31ClN2O5S
Molecular Weight483.03 g/mol
Exact Mass482.16
IUPAC NameN-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide
SMILESO=C1COc2ccc(Cl)cc2C2CCC(CC2)OCC2[C@@H](NS(=O)(=O)C3CC3)CCCN12
InChIInChI=1S/C23H31ClN2O5S/c24-16-5-10-22-19(12-16)15-3-6-17(7-4-15)30-13-21-20(25-32(28,29)18-8-9-18)2-1-11-26(21)23(27)14-31-22/h5,10,12,15,17-18,20-21,25H,1-4,6-9,11,13-14H2/t15?,17?,20-,21?/m0/s1
InChIKeyBZQCSNJEDGZOIE-IUXFZGPCSA-N
XLogP3.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.03
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[(15S)-4-chloro-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide
CID 164799191
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
CID 167145888
N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
CID 167117740
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543
N-[(15S,16R)-5-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 167145840
1-cyclobutyl-N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799309
(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide
CID 167117691
N-[(16R)-4-chloro-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]propane-2-sulfonamide
CID 167117685
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281
(2S)-1,1,1-trifluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 167117757
N-[(15S,16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
CID 164553158

Frequently Asked Questions

What is the IUPAC name of N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide (CID 164799237) is N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide is O=C1COc2ccc(Cl)cc2C2CCC(CC2)OCC2[C@@H](NS(=O)(=O)C3CC3)CCCN12.
What is the InChIKey of N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide?
The InChIKey is BZQCSNJEDGZOIE-IUXFZGPCSA-N. The full InChI is InChI=1S/C23H31ClN2O5S/c24-16-5-10-22-19(12-16)15-3-6-17(7-4-15)30-13-21-20(25-32(28,29)18-8-9-18)2-1-11-26(21)23(27)14-31-22/h5,10,12,15,17-18,20-21,25H,1-4,6-9,11,13-14H2/t15?,17?,20-,21?/m0/s1.
What are the key properties of N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide?
N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide has a molecular weight of 483.03 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide is sourced from PubChem (CID 164799237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).