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

C13H21FN2O2S — CID 79186743

IUPAC4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-6-5-11(10-15)9-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyCRPDOUMXVGWEQE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds7

About 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide

4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide (PubChem CID 79186743) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
PubChem CID79186743
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-6-5-11(10-15)9-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyCRPDOUMXVGWEQE-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

5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 28716397
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79179448
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-propylbenzenesulfonamide
CID 116529413
4-(aminomethyl)-2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79179859
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide (CID 79186743) is 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
The InChIKey is CRPDOUMXVGWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-7-16(8-4-2)19(17,18)13-6-5-11(10-15)9-12(13)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide?
4-(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 4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 79186743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).