N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide

C16H26FN3O2S — CID 99858314

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H26FN3O2S/c1-4-19-8-10-20(11-9-19)14(3)12-18-23(21,22)15-7-5-6-13(2)16(15)17/h5-7,14,18H,4,8-12H2,1-3H3/t14-/m0/s1
InChIKeyRSHDVESVJXNQCG-AWEZNQCLSA-N
MW343.47 g/mol
LogP1.44
Rot. Bonds6

About N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 99858314) has the molecular formula C16H26FN3O2S and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
PubChem CID99858314
Molecular FormulaC16H26FN3O2S
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H26FN3O2S/c1-4-19-8-10-20(11-9-19)14(3)12-18-23(21,22)15-7-5-6-13(2)16(15)17/h5-7,14,18H,4,8-12H2,1-3H3/t14-/m0/s1
InChIKeyRSHDVESVJXNQCG-AWEZNQCLSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131
N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
CID 162364683
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 99831960
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 99857417
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-methyl-N-(2-morpholin-4-ylpropyl)-3-nitrobenzenesulfonamide
CID 46445130
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide (CID 99858314) is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide is CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is RSHDVESVJXNQCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26FN3O2S/c1-4-19-8-10-20(11-9-19)14(3)12-18-23(21,22)15-7-5-6-13(2)16(15)17/h5-7,14,18H,4,8-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide?
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 343.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 99858314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).