5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide

C13H21FN2O2S — CID 28716397

IUPAC5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-9-11(10-15)5-6-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyYSMOWOORMKDYDE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds7

About 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide

5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide (PubChem CID 28716397) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
PubChem CID28716397
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-9-11(10-15)5-6-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyYSMOWOORMKDYDE-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743
5-(aminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112667435
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide
CID 105118929
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide (CID 28716397) is 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(CN)ccc1F.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The InChIKey is YSMOWOORMKDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-9-11(10-15)5-6-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 28716397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).