4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C18H17F3N2O3S — CID 167189010

IUPAC4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H17F3N2O3S/c1-27(25,26)23-14-6-2-11(3-7-14)17(24)22-16-9-4-12-10-13(18(19,20)21)5-8-15(12)16/h2-3,5-8,10,16,23H,4,9H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyCUJDFSLNEUTCRD-INIZCTEOSA-N
MW398.41 g/mol
LogP3.49
Rot. Bonds4

About 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 167189010) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID167189010
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC Name4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H17F3N2O3S/c1-27(25,26)23-14-6-2-11(3-7-14)17(24)22-16-9-4-12-10-13(18(19,20)21)5-8-15(12)16/h2-3,5-8,10,16,23H,4,9H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyCUJDFSLNEUTCRD-INIZCTEOSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide
CID 162619624
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
CID 162768159
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 155341439
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92773243
4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167535377
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 155181081

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 167189010) is 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is CUJDFSLNEUTCRD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-27(25,26)23-14-6-2-11(3-7-14)17(24)22-16-9-4-12-10-13(18(19,20)21)5-8-15(12)16/h2-3,5-8,10,16,23H,4,9H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 167189010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).