2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide

C15H21F2N3O3S — CID 177315591

IUPAC2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)ccc1NC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C15H21F2N3O3S/c1-18-14(21)12-7-11(24(22,23)19-2)3-4-13(12)20-9-10-5-6-15(16,17)8-10/h3-4,7,10,19-20H,5-6,8-9H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyUKOLXACLXZFIPO-JTQLQIEISA-N
MW361.41 g/mol
LogP1.80
Rot. Bonds6

About 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide

2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 177315591) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
PubChem CID177315591
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)ccc1NC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C15H21F2N3O3S/c1-18-14(21)12-7-11(24(22,23)19-2)3-4-13(12)20-9-10-5-6-15(16,17)8-10/h3-4,7,10,19-20H,5-6,8-9H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyUKOLXACLXZFIPO-JTQLQIEISA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide
CID 177315663
N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 177315638
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107294980
5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
CID 99983217
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
CID 43752019
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975082

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide (CID 177315591) is 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide is CNC(=O)c1cc(S(=O)(=O)NC)ccc1NC[C@H]1CCC(F)(F)C1.
What is the InChIKey of 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is UKOLXACLXZFIPO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c1-18-14(21)12-7-11(24(22,23)19-2)3-4-13(12)20-9-10-5-6-15(16,17)8-10/h3-4,7,10,19-20H,5-6,8-9H2,1-2H3,(H,18,21)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide?
2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 177315591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).