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

C19H20FNO2S — CID 51965811

IUPACN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H20FNO2S/c1-13-12-15(20)7-11-19(13)24(22,23)21(16-8-9-16)18-10-6-14-4-2-3-5-17(14)18/h2-5,7,11-12,16,18H,6,8-10H2,1H3/t18-/m0/s1
InChIKeyQCOSLHXDOPQCDJ-SFHVURJKSA-N
MW345.44 g/mol
LogP3.97
Rot. Bonds4

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

N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 51965811) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID51965811
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H20FNO2S/c1-13-12-15(20)7-11-19(13)24(22,23)21(16-8-9-16)18-10-6-14-4-2-3-5-17(14)18/h2-5,7,11-12,16,18H,6,8-10H2,1H3/t18-/m0/s1
InChIKeyQCOSLHXDOPQCDJ-SFHVURJKSA-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-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 51965811) is N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QCOSLHXDOPQCDJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-13-12-15(20)7-11-19(13)24(22,23)21(16-8-9-16)18-10-6-14-4-2-3-5-17(14)18/h2-5,7,11-12,16,18H,6,8-10H2,1H3/t18-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-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-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 51965811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).