(3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

C36H47ClN4O7S — CID 158043955

About (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

(3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (PubChem CID 158043955) has the molecular formula C36H47ClN4O7S and a molecular weight of 715.31 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• PubChem CID: 158043955
• Molecular Formula: C36H47ClN4O7S
• Molecular Weight: 715.31 g/mol
• Exact Mass: 714.29
• IUPAC Name: (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• SMILES: C[C@H]1C/C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@](O)(C(=O)NS(=O)(=O)N(C)C)CC(=O)N1C
• InChI: InChI=1S/C36H47ClN4O7S/c1-23-7-5-9-31(42)28-13-10-25(28)20-41-21-35(16-6-8-24-17-27(37)12-14-29(24)35)22-48-32-15-11-26(18-30(32)41)36(45,19-33(43)40(23)4)34(44)38-49(46,47)39(2)3/h5,9,11-12,14-15,17-18,23,25,28,31,42,45H,6-8,10,13,16,19-22H2,1-4H3,(H,38,44)/b9-5-/t23-,25-,28+,31-,35-,36-/m0/s1
• InChIKey: AHWKSTFOCIJNFI-WOWAXAOVSA-N
• XLogP: 3.51
• TPSA: 139.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	715.31
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The IUPAC name of (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (CID 158043955) is (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The canonical SMILES for (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is C[C@H]1C/C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@](O)(C(=O)NS(=O)(=O)N(C)C)CC(=O)N1C.

What is the InChIKey of (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The InChIKey is AHWKSTFOCIJNFI-WOWAXAOVSA-N. The full InChI is InChI=1S/C36H47ClN4O7S/c1-23-7-5-9-31(42)28-13-10-25(28)20-41-21-35(16-6-8-24-17-27(37)12-14-29(24)35)22-48-32-15-11-26(18-30(32)41)36(45,19-33(43)40(23)4)34(44)38-49(46,47)39(2)3/h5,9,11-12,14-15,17-18,23,25,28,31,42,45H,6-8,10,13,16,19-22H2,1-4H3,(H,38,44)/b9-5-/t23-,25-,28+,31-,35-,36-/m0/s1.

What are the key properties of (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

(3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide has a molecular weight of 715.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,8'E,11'S,15'S)-7-chloro-N-(dimethylsulfamoyl)-7',15'-dihydroxy-11',12'-dimethyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is sourced from PubChem (CID 158043955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).