5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide

C14H21FN2O2S — CID 107397041

IUPAC5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C14H21FN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-13(16)12(15)7-10(14)2/h7-8,11H,3-6,9,16H2,1-2H3
InChIKeyZJIMTYHGGQCIBX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.53
Rot. Bonds5

About 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide

5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 107397041) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
PubChem CID107397041
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C14H21FN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-13(16)12(15)7-10(14)2/h7-8,11H,3-6,9,16H2,1-2H3
InChIKeyZJIMTYHGGQCIBX-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide (CID 107397041) is 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(N)c(F)cc1C.
What is the InChIKey of 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ZJIMTYHGGQCIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-13(16)12(15)7-10(14)2/h7-8,11H,3-6,9,16H2,1-2H3.
What are the key properties of 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 107397041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).