N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide

C14H20F2N2O2S — CID 105121755

IUPACN-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(F)c(S(=O)(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C14H20F2N2O2S/c1-17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(2)9-10-4-3-5-10/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyPXECJHNQVBPBGF-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.10
Rot. Bonds6

About N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 105121755) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID105121755
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(F)c(S(=O)(=O)N(C)CC2CCC2)c1
InChIInChI=1S/C14H20F2N2O2S/c1-17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(2)9-10-4-3-5-10/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyPXECJHNQVBPBGF-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 105119398
2-bromo-N-(cyclobutylmethyl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365049
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 81428132
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 105118979
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
2,3-difluoro-5-(methylaminomethyl)-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 105123204
2-bromo-5-(chloromethyl)-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 114363627
4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102704246

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 105121755) is N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(F)c(F)c(S(=O)(=O)N(C)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is PXECJHNQVBPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(2)9-10-4-3-5-10/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 105121755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).