N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide

C19H20FNO2S — CID 51965812

IUPACN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FNO2S/c1-13-6-10-16(12-18(13)20)24(22,23)21(15-8-9-15)19-11-7-14-4-2-3-5-17(14)19/h2-6,10,12,15,19H,7-9,11H2,1H3/t19-/m1/s1
InChIKeyNLXLACAWBYYBQZ-LJQANCHMSA-N
MW345.44 g/mol
LogP3.97
Rot. Bonds4

About N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide

N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 51965812) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
PubChem CID51965812
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FNO2S/c1-13-6-10-16(12-18(13)20)24(22,23)21(15-8-9-15)19-11-7-14-4-2-3-5-17(14)19/h2-6,10,12,15,19H,7-9,11H2,1H3/t19-/m1/s1
InChIKeyNLXLACAWBYYBQZ-LJQANCHMSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide (CID 51965812) is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1F.
What is the InChIKey of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is NLXLACAWBYYBQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-13-6-10-16(12-18(13)20)24(22,23)21(15-8-9-15)19-11-7-14-4-2-3-5-17(14)19/h2-6,10,12,15,19H,7-9,11H2,1H3/t19-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide?
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 345.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 51965812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).