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

C39H34ClF3N4O5S — CID 156744545

IUPACN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C(F)(F)F)cc4)cc23)cc1
InChIInChI=1S/C39H34ClF3N4O5S/c1-51-32-15-9-27(10-16-32)23-47(24-28-11-17-33(52-2)18-12-28)53(49,50)37-21-31(44-38(48)19-29-5-3-4-6-35(29)40)20-36-34(37)25-46(45-36)22-26-7-13-30(14-8-26)39(41,42)43/h3-18,20-21,25H,19,22-24H2,1-2H3,(H,44,48)
InChIKeyNTJSVLQMEKGIRI-UHFFFAOYSA-N
MW763.24 g/mol
LogP8.35
Rot. Bonds13

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

N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 156744545) has the molecular formula C39H34ClF3N4O5S and a molecular weight of 763.24 g/mol. Its IUPAC name is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
PubChem CID156744545
Molecular FormulaC39H34ClF3N4O5S
Molecular Weight763.24 g/mol
Exact Mass762.19
IUPAC NameN-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C(F)(F)F)cc4)cc23)cc1
InChIInChI=1S/C39H34ClF3N4O5S/c1-51-32-15-9-27(10-16-32)23-47(24-28-11-17-33(52-2)18-12-28)53(49,50)37-21-31(44-38(48)19-29-5-3-4-6-35(29)40)20-36-34(37)25-46(45-36)22-26-7-13-30(14-8-26)39(41,42)43/h3-18,20-21,25H,19,22-24H2,1-2H3,(H,44,48)
InChIKeyNTJSVLQMEKGIRI-UHFFFAOYSA-N
XLogP8.35
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.24
LogP ≤ 58.35
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]-1-[(4-chlorophenyl)methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 164945470
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
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
7-[[2-(2-chlorophenyl)acetyl]amino]-2-methoxyquinoline-5-sulfonyl chloride
CID 156572119
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
CID 168793753
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588706

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide (CID 156744545) is N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)cc3nn(Cc4ccc(C(F)(F)F)cc4)cc23)cc1.
What is the InChIKey of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is NTJSVLQMEKGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34ClF3N4O5S/c1-51-32-15-9-27(10-16-32)23-47(24-28-11-17-33(52-2)18-12-28)53(49,50)37-21-31(44-38(48)19-29-5-3-4-6-35(29)40)20-36-34(37)25-46(45-36)22-26-7-13-30(14-8-26)39(41,42)43/h3-18,20-21,25H,19,22-24H2,1-2H3,(H,44,48).
What are the key properties of N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide?
N-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 763.24 g/mol, XLogP of 8.35, 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-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 156744545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).