N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H20FNO2S — CID 114107748

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC1CC1(C)C
InChIInChI=1S/C14H20FNO2S/c1-9-5-12(15)6-10(2)13(9)19(17,18)16-8-11-7-14(11,3)4/h5-6,11,16H,7-8H2,1-4H3
InChIKeyCSXMERGWFYSHNJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.77
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 114107748) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID114107748
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC1CC1(C)C
InChIInChI=1S/C14H20FNO2S/c1-9-5-12(15)6-10(2)13(9)19(17,18)16-8-11-7-14(11,3)4/h5-6,11,16H,7-8H2,1-4H3
InChIKeyCSXMERGWFYSHNJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327255
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329415

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 114107748) is N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCC1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is CSXMERGWFYSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-9-5-12(15)6-10(2)13(9)19(17,18)16-8-11-7-14(11,3)4/h5-6,11,16H,7-8H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 114107748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).