N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide

C16H16F3N3O3S — CID 177315638

IUPACN-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)ccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-20-15(23)13-9-12(26(24,25)21-2)7-8-14(13)22-11-5-3-10(4-6-11)16(17,18)19/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyRHIAOLNPTBHWKB-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide

N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide (PubChem CID 177315638) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
PubChem CID177315638
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)ccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-20-15(23)13-9-12(26(24,25)21-2)7-8-14(13)22-11-5-3-10(4-6-11)16(17,18)19/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyRHIAOLNPTBHWKB-UHFFFAOYSA-N
XLogP2.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzoic acid
CID 177315572
2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide
CID 177315663
2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
CID 177315591
N-[2-[4-(methylsulfamoyl)-2-nitroanilino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661935
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 155343062
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide (CID 177315638) is N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide is CNC(=O)c1cc(S(=O)(=O)NC)ccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The InChIKey is RHIAOLNPTBHWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-20-15(23)13-9-12(26(24,25)21-2)7-8-14(13)22-11-5-3-10(4-6-11)16(17,18)19/h3-9,21-22H,1-2H3,(H,20,23).
What are the key properties of N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide?
N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide has a molecular weight of 387.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 177315638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).