N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide

C14H14F2N2O2S — CID 62315894

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C14H14F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,8,17H2,1H3
InChIKeyDMSJKBIWNXBBOV-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.53
Rot. Bonds4

About N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 62315894) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID62315894
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C14H14F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,8,17H2,1H3
InChIKeyDMSJKBIWNXBBOV-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 62315894) is N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is DMSJKBIWNXBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,8,17H2,1H3.
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 62315894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).