2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide

C25H25F2N3O4S — CID 168793753

IUPAC2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C)cc3nn(C(F)F)cc23)cc1
InChIInChI=1S/C25H25F2N3O4S/c1-17-12-23-22(16-30(28-23)25(26)27)24(13-17)35(31,32)29(14-18-4-8-20(33-2)9-5-18)15-19-6-10-21(34-3)11-7-19/h4-13,16,25H,14-15H2,1-3H3
InChIKeyVHTZHRMEFCCRAA-UHFFFAOYSA-N
MW501.56 g/mol
LogP5.15
Rot. Bonds9

About 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide

2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide (PubChem CID 168793753) has the molecular formula C25H25F2N3O4S and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
PubChem CID168793753
Molecular FormulaC25H25F2N3O4S
Molecular Weight501.56 g/mol
Exact Mass501.15
IUPAC Name2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C)cc3nn(C(F)F)cc23)cc1
InChIInChI=1S/C25H25F2N3O4S/c1-17-12-23-22(16-30(28-23)25(26)27)24(13-17)35(31,32)29(14-18-4-8-20(33-2)9-5-18)15-19-6-10-21(34-3)11-7-19/h4-13,16,25H,14-15H2,1-3H3
InChIKeyVHTZHRMEFCCRAA-UHFFFAOYSA-N
XLogP5.15
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-2-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-2-(2-chlorophenyl)acetamide
CID 156744545
1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155622551
5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
CID 178149371
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 19615013
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 146797793
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide?
The IUPAC name of 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide (CID 168793753) is 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide?
The canonical SMILES for 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cc(C)cc3nn(C(F)F)cc23)cc1.
What is the InChIKey of 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide?
The InChIKey is VHTZHRMEFCCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4S/c1-17-12-23-22(16-30(28-23)25(26)27)24(13-17)35(31,32)29(14-18-4-8-20(33-2)9-5-18)15-19-6-10-21(34-3)11-7-19/h4-13,16,25H,14-15H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide?
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide has a molecular weight of 501.56 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide is sourced from PubChem (CID 168793753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).