5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide

C16H13F2N3O3S — CID 145367786

IUPAC5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2cc(F)c(F)cc21
InChIInChI=1S/C16H13F2N3O3S/c1-21-14-8-13(18)12(17)6-9(14)7-15(21)16(22)20-10-2-4-11(5-3-10)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24)
InChIKeyZFJBMBQVQAVFHU-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.36
Rot. Bonds3

About 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide

5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide (PubChem CID 145367786) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
PubChem CID145367786
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2cc(F)c(F)cc21
InChIInChI=1S/C16H13F2N3O3S/c1-21-14-8-13(18)12(17)6-9(14)7-15(21)16(22)20-10-2-4-11(5-3-10)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24)
InChIKeyZFJBMBQVQAVFHU-UHFFFAOYSA-N
XLogP2.36
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
6-chloro-5-fluoro-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]sulfanylphenyl]-1-methylindole-2-carboxamide
CID 145367754
5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 145039684
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
CID 35328187
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 126493643

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The IUPAC name of 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide (CID 145367786) is 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide.
What is the SMILES notation for 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The canonical SMILES for 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The InChIKey is ZFJBMBQVQAVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-21-14-8-13(18)12(17)6-9(14)7-15(21)16(22)20-10-2-4-11(5-3-10)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide is sourced from PubChem (CID 145367786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).