2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid

C14H19NO5S — CID 63865327

IUPAC2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid
SMILESCC1CC1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-10-7-11(10)8-15(2)21(18,19)13-5-3-12(4-6-13)20-9-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyNGSKQYMZHVPURO-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.43
Rot. Bonds7

About 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid

2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid (PubChem CID 63865327) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid
PubChem CID63865327
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid
SMILESCC1CC1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-10-7-11(10)8-15(2)21(18,19)13-5-3-12(4-6-13)20-9-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyNGSKQYMZHVPURO-UHFFFAOYSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenyl]propanoic acid
CID 63866568
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858811
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenoxy]acetic acid
CID 81036384
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid
CID 146121445
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
4-(3-aminoprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860978
2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenoxy]acetic acid
CID 43296540
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
2-[4-[4-(carboxymethoxy)phenyl]sulfonyloxyphenoxy]acetic acid
CID 139738775
2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid (CID 63865327) is 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid is CC1CC1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid?
The InChIKey is NGSKQYMZHVPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-7-11(10)8-15(2)21(18,19)13-5-3-12(4-6-13)20-9-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid?
2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 63865327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).