N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide

C14H21FN2O2S — CID 102920747

IUPACN-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C14H21FN2O2S/c1-16-9-12-6-7-13(15)8-14(12)20(18,19)17(2)10-11-4-3-5-11/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyPEZGJUJFBYNOEP-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.97
Rot. Bonds6

About N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide

N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 102920747) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
PubChem CID102920747
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C14H21FN2O2S/c1-16-9-12-6-7-13(15)8-14(12)20(18,19)17(2)10-11-4-3-5-11/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyPEZGJUJFBYNOEP-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 105121755
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 81428132
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
2-bromo-N-(cyclobutylmethyl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365049
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide (CID 102920747) is N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is PEZGJUJFBYNOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-16-9-12-6-7-13(15)8-14(12)20(18,19)17(2)10-11-4-3-5-11/h6-8,11,16H,3-5,9-10H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide?
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102920747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).