5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid

C16H18N2O4S — CID 167798818

IUPAC5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1-c1ccc([C@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-10-14(8-17-9-15(10)16(19)20)13-6-4-12(5-7-13)11(2)18-23(3,21)22/h4-9,11,18H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyRLRIOHRXVFPVRW-NSHDSACASA-N
MW334.40 g/mol
LogP2.37
Rot. Bonds5

About 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid

5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid (PubChem CID 167798818) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid
PubChem CID167798818
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1-c1ccc([C@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-10-14(8-17-9-15(10)16(19)20)13-6-4-12(5-7-13)11(2)18-23(3,21)22/h4-9,11,18H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyRLRIOHRXVFPVRW-NSHDSACASA-N
XLogP2.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
CID 86691231
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
CID 163970915
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 167815932
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
5-(4-methylsulfonylphenyl)-1,2-oxazole-4-carboxylic acid
CID 80502864
5-methyl-4-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 81394759

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid (CID 167798818) is 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid is Cc1c(C(=O)O)cncc1-c1ccc([C@H](C)NS(C)(=O)=O)cc1.
What is the InChIKey of 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is RLRIOHRXVFPVRW-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-14(8-17-9-15(10)16(19)20)13-6-4-12(5-7-13)11(2)18-23(3,21)22/h4-9,11,18H,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid?
5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-(methanesulfonamido)ethyl]phenyl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 167798818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).