5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide

C14H22FN3O2S — CID 105413622

IUPAC5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C14H22FN3O2S/c1-10-12(15)7-11(16)8-13(10)21(19,20)17-9-14(18(2)3)5-4-6-14/h7-8,17H,4-6,9,16H2,1-3H3
InChIKeyFDJCKJHFBKTIQW-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 105413622) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
PubChem CID105413622
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C14H22FN3O2S/c1-10-12(15)7-11(16)8-13(10)21(19,20)17-9-14(18(2)3)5-4-6-14/h7-8,17H,4-6,9,16H2,1-3H3
InChIKeyFDJCKJHFBKTIQW-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.48
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

5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
4-(aminomethyl)-2-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 106087070
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898608

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide (CID 105413622) is 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is FDJCKJHFBKTIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-10-12(15)7-11(16)8-13(10)21(19,20)17-9-14(18(2)3)5-4-6-14/h7-8,17H,4-6,9,16H2,1-3H3.
What are the key properties of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 105413622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).