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

C24H33ClN2O5S — CID 164799191

IUPACN-[(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
SMILESCc1c(Cl)ccc2c1C1CCC(CC1)OCC1[C@@H](NS(=O)(=O)C3CC3)CCCN1C(=O)CO2
InChIInChI=1S/C24H33ClN2O5S/c1-15-19(25)10-11-22-24(15)16-4-6-17(7-5-16)31-13-21-20(26-33(29,30)18-8-9-18)3-2-12-27(21)23(28)14-32-22/h10-11,16-18,20-21,26H,2-9,12-14H2,1H3/t16?,17?,20-,21?/m0/s1
InChIKeyXJBGDULYUMILBT-BUIYBCASSA-N
MW497.06 g/mol
LogP3.53
Rot. Bonds3

About 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

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 (PubChem CID 164799191) has the molecular formula C24H33ClN2O5S and a molecular weight of 497.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID164799191
Molecular FormulaC24H33ClN2O5S
Molecular Weight497.06 g/mol
Exact Mass496.18
IUPAC NameN-[(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
SMILESCc1c(Cl)ccc2c1C1CCC(CC1)OCC1[C@@H](NS(=O)(=O)C3CC3)CCCN1C(=O)CO2
InChIInChI=1S/C24H33ClN2O5S/c1-15-19(25)10-11-22-24(15)16-4-6-17(7-5-16)31-13-21-20(26-33(29,30)18-8-9-18)3-2-12-27(21)23(28)14-32-22/h10-11,16-18,20-21,26H,2-9,12-14H2,1H3/t16?,17?,20-,21?/m0/s1
InChIKeyXJBGDULYUMILBT-BUIYBCASSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.06
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Cl)ccc2c1C1CCC(CC1)OCC1[C@@H](NS(=O)(=O)C3CC3)CCCN1C(=O)CO2.
What is the InChIKey of 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?
The InChIKey is XJBGDULYUMILBT-BUIYBCASSA-N. The full InChI is InChI=1S/C24H33ClN2O5S/c1-15-19(25)10-11-22-24(15)16-4-6-17(7-5-16)31-13-21-20(26-33(29,30)18-8-9-18)3-2-12-27(21)23(28)14-32-22/h10-11,16-18,20-21,26H,2-9,12-14H2,1H3/t16?,17?,20-,21?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 497.06 g/mol, XLogP of 3.53, 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-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 is sourced from PubChem (CID 164799191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).