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

C39H37ClN4O5S — CID 156744532

IUPACN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C39H37ClN4O5S/c1-27-8-10-28(11-9-27)23-43-26-35-37(42-43)21-32(41-39(45)20-31-6-4-5-7-36(31)40)22-38(35)50(46,47)44(24-29-12-16-33(48-2)17-13-29)25-30-14-18-34(49-3)19-15-30/h4-19,21-22,26H,20,23-25H2,1-3H3,(H,41,45)
InChIKeyWVDBXSYRXBRIPX-UHFFFAOYSA-N
MW709.27 g/mol
LogP7.64
Rot. Bonds13

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

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 156744532) has the molecular formula C39H37ClN4O5S and a molecular weight of 709.27 g/mol. Its IUPAC name is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
PubChem CID156744532
Molecular FormulaC39H37ClN4O5S
Molecular Weight709.27 g/mol
Exact Mass708.22
IUPAC NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C39H37ClN4O5S/c1-27-8-10-28(11-9-27)23-43-26-35-37(42-43)21-32(41-39(45)20-31-6-4-5-7-36(31)40)22-38(35)50(46,47)44(24-29-12-16-33(48-2)17-13-29)25-30-14-18-34(49-3)19-15-30/h4-19,21-22,26H,20,23-25H2,1-3H3,(H,41,45)
InChIKeyWVDBXSYRXBRIPX-UHFFFAOYSA-N
XLogP7.64
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.27
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744545
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945470
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-6-cyanonaphthalen-2-yl]-2-(2-chlorophenyl)acetamide
CID 156572109
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-chloro-1-(4-fluorophenyl)indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945464
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
CID 168793753
7-[[2-(2-chlorophenyl)acetyl]amino]-2-methoxyquinoline-5-sulfonyl chloride
CID 156572119
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
N-[4-[bis[benzyl(methyl)boranyl]sulfamoyl]-2-ethylindazol-6-yl]-2-(6-methylcyclohexa-1,5-dien-1-yl)acetamide
CID 174069254

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (CID 156744532) is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C)cc4)cc23)cc1.
What is the InChIKey of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is WVDBXSYRXBRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37ClN4O5S/c1-27-8-10-28(11-9-27)23-43-26-35-37(42-43)21-32(41-39(45)20-31-6-4-5-7-36(31)40)22-38(35)50(46,47)44(24-29-12-16-33(48-2)17-13-29)25-30-14-18-34(49-3)19-15-30/h4-19,21-22,26H,20,23-25H2,1-3H3,(H,41,45).
What are the key properties of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 709.27 g/mol, XLogP of 7.64, 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]-2-[(4-methylphenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 156744532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).