4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide

C17H19FN2O2S — CID 97338443

IUPAC4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide
SMILESC[C@H](NC1(c2ccccc2F)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O2S/c1-12(13-6-8-14(9-7-13)23(19,21)22)20-17(10-11-17)15-4-2-3-5-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)/t12-/m0/s1
InChIKeyDIWNSITVBKUINA-LBPRGKRZSA-N
MW334.42 g/mol
LogP2.81
Rot. Bonds5

About 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide

4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide (PubChem CID 97338443) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide
PubChem CID97338443
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide
SMILESC[C@H](NC1(c2ccccc2F)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O2S/c1-12(13-6-8-14(9-7-13)23(19,21)22)20-17(10-11-17)15-4-2-3-5-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)/t12-/m0/s1
InChIKeyDIWNSITVBKUINA-LBPRGKRZSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]methylamino]ethyl]benzenesulfonamide
CID 97113645
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopropan-1-amine
CID 115920775
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
CID 79090299
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide (CID 97338443) is 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide is C[C@H](NC1(c2ccccc2F)CC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide?
The InChIKey is DIWNSITVBKUINA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-12(13-6-8-14(9-7-13)23(19,21)22)20-17(10-11-17)15-4-2-3-5-16(15)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)/t12-/m0/s1.
What are the key properties of 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide?
4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[1-(2-fluorophenyl)cyclopropyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97338443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).