benzene;2-(methanesulfonamido)pentanoic acid

C12H19NO4S — CID 68896483

IUPACbenzene;2-(methanesulfonamido)pentanoic acid
SMILESCCCC(NS(C)(=O)=O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H13NO4S.C6H6/c1-3-4-5(6(8)9)7-12(2,10)11;1-2-4-6-5-3-1/h5,7H,3-4H2,1-2H3,(H,8,9);1-6H
InChIKeyBGFHROIVMKHEQO-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.48
Rot. Bonds5

About benzene;2-(methanesulfonamido)pentanoic acid

benzene;2-(methanesulfonamido)pentanoic acid (PubChem CID 68896483) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is benzene;2-(methanesulfonamido)pentanoic acid.

Molecular Properties

Compound Namebenzene;2-(methanesulfonamido)pentanoic acid
PubChem CID68896483
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Namebenzene;2-(methanesulfonamido)pentanoic acid
SMILESCCCC(NS(C)(=O)=O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H13NO4S.C6H6/c1-3-4-5(6(8)9)7-12(2,10)11;1-2-4-6-5-3-1/h5,7H,3-4H2,1-2H3,(H,8,9);1-6H
InChIKeyBGFHROIVMKHEQO-UHFFFAOYSA-N
XLogP1.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
CID 153277346
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
CID 104935403
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822

Frequently Asked Questions

What is the IUPAC name of benzene;2-(methanesulfonamido)pentanoic acid?
The IUPAC name of benzene;2-(methanesulfonamido)pentanoic acid (CID 68896483) is benzene;2-(methanesulfonamido)pentanoic acid.
What is the SMILES notation for benzene;2-(methanesulfonamido)pentanoic acid?
The canonical SMILES for benzene;2-(methanesulfonamido)pentanoic acid is CCCC(NS(C)(=O)=O)C(=O)O.c1ccccc1.
What is the InChIKey of benzene;2-(methanesulfonamido)pentanoic acid?
The InChIKey is BGFHROIVMKHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S.C6H6/c1-3-4-5(6(8)9)7-12(2,10)11;1-2-4-6-5-3-1/h5,7H,3-4H2,1-2H3,(H,8,9);1-6H.
What are the key properties of benzene;2-(methanesulfonamido)pentanoic acid?
benzene;2-(methanesulfonamido)pentanoic acid has a molecular weight of 273.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-(methanesulfonamido)pentanoic acid is sourced from PubChem (CID 68896483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).