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

C24H35ClN2O5S — CID 167117685

IUPACN-[(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
SMILESCc1c(Cl)ccc2c1C1CCC(CC1)OC[C@H]1C(NS(=O)(=O)C(C)C)CCCN1C(=O)CO2
InChIInChI=1S/C24H35ClN2O5S/c1-15(2)33(29,30)26-20-5-4-12-27-21(20)13-31-18-8-6-17(7-9-18)24-16(3)19(25)10-11-22(24)32-14-23(27)28/h10-11,15,17-18,20-21,26H,4-9,12-14H2,1-3H3/t17?,18?,20?,21-/m0/s1
InChIKeyBCNCRKFNQUVPJQ-QDDLRWIDSA-N
MW499.07 g/mol
LogP3.77
Rot. Bonds3

About 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

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 (PubChem CID 167117685) has the molecular formula C24H35ClN2O5S and a molecular weight of 499.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167117685
Molecular FormulaC24H35ClN2O5S
Molecular Weight499.07 g/mol
Exact Mass498.20
IUPAC NameN-[(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
SMILESCc1c(Cl)ccc2c1C1CCC(CC1)OC[C@H]1C(NS(=O)(=O)C(C)C)CCCN1C(=O)CO2
InChIInChI=1S/C24H35ClN2O5S/c1-15(2)33(29,30)26-20-5-4-12-27-21(20)13-31-18-8-6-17(7-9-18)24-16(3)19(25)10-11-22(24)32-14-23(27)28/h10-11,15,17-18,20-21,26H,4-9,12-14H2,1-3H3/t17?,18?,20?,21-/m0/s1
InChIKeyBCNCRKFNQUVPJQ-QDDLRWIDSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.07
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Cl)ccc2c1C1CCC(CC1)OC[C@H]1C(NS(=O)(=O)C(C)C)CCCN1C(=O)CO2.
What is the InChIKey of 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?
The InChIKey is BCNCRKFNQUVPJQ-QDDLRWIDSA-N. The full InChI is InChI=1S/C24H35ClN2O5S/c1-15(2)33(29,30)26-20-5-4-12-27-21(20)13-31-18-8-6-17(7-9-18)24-16(3)19(25)10-11-22(24)32-14-23(27)28/h10-11,15,17-18,20-21,26H,4-9,12-14H2,1-3H3/t17?,18?,20?,21-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 499.07 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167117685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).