N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide

C16H19FN2O2S — CID 91650299

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
SMILESCc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-12-4-5-13(11-19(2)3)10-16(12)18-22(20,21)15-8-6-14(17)7-9-15/h4-10,18H,11H2,1-3H3
InChIKeyIMZOJDHILMFQRN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide (PubChem CID 91650299) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
PubChem CID91650299
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
SMILESCc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-12-4-5-13(11-19(2)3)10-16(12)18-22(20,21)15-8-6-14(17)7-9-15/h4-10,18H,11H2,1-3H3
InChIKeyIMZOJDHILMFQRN-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-fluorobenzenesulfonamide
CID 91650300
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
CID 86803128
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 3597119
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 99796852

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide (CID 91650299) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide is Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide?
The InChIKey is IMZOJDHILMFQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-12-4-5-13(11-19(2)3)10-16(12)18-22(20,21)15-8-6-14(17)7-9-15/h4-10,18H,11H2,1-3H3.
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 91650299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).