N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide

C38H34Cl2N4O5S — CID 164945470

IUPACN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3c2cnn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C38H34Cl2N4O5S/c1-48-32-15-9-26(10-16-32)23-43(24-27-11-17-33(49-2)18-12-27)50(46,47)37-21-31(42-38(45)19-29-5-3-4-6-35(29)40)20-36-34(37)22-41-44(36)25-28-7-13-30(39)14-8-28/h3-18,20-22H,19,23-25H2,1-2H3,(H,42,45)
InChIKeyFXNCKNCFDGPNCQ-UHFFFAOYSA-N
MW729.69 g/mol
LogP7.98
Rot. Bonds13

About N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 164945470) has the molecular formula C38H34Cl2N4O5S and a molecular weight of 729.69 g/mol. Its IUPAC name is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
PubChem CID164945470
Molecular FormulaC38H34Cl2N4O5S
Molecular Weight729.69 g/mol
Exact Mass728.16
IUPAC NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3c2cnn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C38H34Cl2N4O5S/c1-48-32-15-9-26(10-16-32)23-43(24-27-11-17-33(49-2)18-12-27)50(46,47)37-21-31(42-38(45)19-29-5-3-4-6-35(29)40)20-36-34(37)22-41-44(36)25-28-7-13-30(39)14-8-28/h3-18,20-22H,19,23-25H2,1-2H3,(H,42,45)
InChIKeyFXNCKNCFDGPNCQ-UHFFFAOYSA-N
XLogP7.98
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.69
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744532
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-chloro-1-(4-fluorophenyl)indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945464
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide
CID 156572109
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744545
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588748
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
7-[[2-(2-chlorophenyl)acetyl]amino]-2-methoxyquinoline-5-sulfonyl chloride
CID 156572119
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126011388
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3266857
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (CID 164945470) is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3c2cnn3Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is FXNCKNCFDGPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34Cl2N4O5S/c1-48-32-15-9-26(10-16-32)23-43(24-27-11-17-33(49-2)18-12-27)50(46,47)37-21-31(42-38(45)19-29-5-3-4-6-35(29)40)20-36-34(37)22-41-44(36)25-28-7-13-30(39)14-8-28/h3-18,20-22H,19,23-25H2,1-2H3,(H,42,45).
What are the key properties of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 729.69 g/mol, XLogP of 7.98, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 164945470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).