3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C10H15FN2O3S — CID 55061064

IUPAC3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3
InChIKeyNEUHYEMZYCPZTH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 55061064) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID55061064
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3
InChIKeyNEUHYEMZYCPZTH-UHFFFAOYSA-N
XLogP0.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3-amino-4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61141111
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
3-amino-4-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61138250
2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576035
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 61125776
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 55061064) is 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is NEUHYEMZYCPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55061064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).