N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide

C11H17FN2O4S2 — CID 63767352

IUPACN-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCC(N)CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H17FN2O4S2/c1-8(13)7-14(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyOGYZPEKQWGDCKP-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.20
Rot. Bonds5

About N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide

N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 63767352) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID63767352
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC NameN-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCC(N)CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H17FN2O4S2/c1-8(13)7-14(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyOGYZPEKQWGDCKP-UHFFFAOYSA-N
XLogP0.20
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
CID 43571193
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
CID 63766579
N-(3-amino-2-methylpropyl)-5-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 115272371
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
N-(2-aminoethyl)-N-cyclopropyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61350717
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide (CID 63767352) is N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide is CC(N)CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is OGYZPEKQWGDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-8(13)7-14(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3.
What are the key properties of N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide?
N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 63767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).