N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide

C10H13FN2O2S — CID 175844272

IUPACN-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)Nc2cccc(N)c2F)CC1
InChIInChI=1S/C10H13FN2O2S/c1-10(5-6-10)16(14,15)13-8-4-2-3-7(12)9(8)11/h2-4,13H,5-6,12H2,1H3
InChIKeyRUAKZLPMWCFYNC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.70
Rot. Bonds3

About N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide

N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide (PubChem CID 175844272) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide
PubChem CID175844272
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)Nc2cccc(N)c2F)CC1
InChIInChI=1S/C10H13FN2O2S/c1-10(5-6-10)16(14,15)13-8-4-2-3-7(12)9(8)11/h2-4,13H,5-6,12H2,1H3
InChIKeyRUAKZLPMWCFYNC-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-1-methylcyclopropane-1-sulfonamide
CID 129188563
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485262
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
1-methyl-N-quinazolin-2-ylcyclopropane-1-sulfonamide
CID 172725862
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
1-methylcyclopropane-1-sulfonyl fluoride
CID 162341526
2-amino-6-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726242
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578
3-(2,2-dimethylpyrrolidin-1-yl)-2-fluoroaniline
CID 175186271
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide (CID 175844272) is N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide is CC1(S(=O)(=O)Nc2cccc(N)c2F)CC1.
What is the InChIKey of N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide?
The InChIKey is RUAKZLPMWCFYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-10(5-6-10)16(14,15)13-8-4-2-3-7(12)9(8)11/h2-4,13H,5-6,12H2,1H3.
What are the key properties of N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide?
N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide has a molecular weight of 244.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 175844272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).