N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

C12H16FNO4S — CID 35324081

IUPACN-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC2CC2)cc1OC
InChIInChI=1S/C12H16FNO4S/c1-17-10-5-9(13)12(6-11(10)18-2)19(15,16)14-7-8-3-4-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyXTOZVADOGNQEMW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.53
Rot. Bonds6

About N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide

N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (PubChem CID 35324081) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
PubChem CID35324081
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC2CC2)cc1OC
InChIInChI=1S/C12H16FNO4S/c1-17-10-5-9(13)12(6-11(10)18-2)19(15,16)14-7-8-3-4-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyXTOZVADOGNQEMW-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 120666342
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide (CID 35324081) is N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCC2CC2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The InChIKey is XTOZVADOGNQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-17-10-5-9(13)12(6-11(10)18-2)19(15,16)14-7-8-3-4-8/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide?
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 35324081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).