N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide

C10H13FN2O2S — CID 107334203

IUPACN-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide
SMILESNc1cc(F)cc(NS(=O)(=O)CC2CC2)c1
InChIInChI=1S/C10H13FN2O2S/c11-8-3-9(12)5-10(4-8)13-16(14,15)6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyHHDULNCDWOZHTO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.56
Rot. Bonds4

About N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide

N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide (PubChem CID 107334203) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide
PubChem CID107334203
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide
SMILESNc1cc(F)cc(NS(=O)(=O)CC2CC2)c1
InChIInChI=1S/C10H13FN2O2S/c11-8-3-9(12)5-10(4-8)13-16(14,15)6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyHHDULNCDWOZHTO-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.56
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

3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
CID 107334287
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 107575670
3-fluoro-5-(oxan-4-ylmethylsulfonyl)aniline
CID 81183286
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
N-[4-(bromomethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 114296744
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
CID 114002396

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide (CID 107334203) is N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide is Nc1cc(F)cc(NS(=O)(=O)CC2CC2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is HHDULNCDWOZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-3-9(12)5-10(4-8)13-16(14,15)6-7-1-2-7/h3-5,7,13H,1-2,6,12H2.
What are the key properties of N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide?
N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 107334203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).