N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride

C14H23ClN2O3S — CID 22792478

IUPACN-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
SMILESCCN(CC)[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19;/h7-11,15H,5-6H2,1-4H3;1H/t11-;/m0./s1
InChIKeyYJJUXHPCYFZAKN-MERQFXBCSA-N
MW334.87 g/mol
LogP2.39
Rot. Bonds7

About N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride

N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 22792478) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID22792478
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
SMILESCCN(CC)[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19;/h7-11,15H,5-6H2,1-4H3;1H/t11-;/m0./s1
InChIKeyYJJUXHPCYFZAKN-MERQFXBCSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
CID 45357491
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
CID 55358901
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride (CID 22792478) is N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride is CCN(CC)[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is YJJUXHPCYFZAKN-MERQFXBCSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19;/h7-11,15H,5-6H2,1-4H3;1H/t11-;/m0./s1.
What are the key properties of N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 22792478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).