N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide

C16H18FNO3S — CID 110445897

IUPACN-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO3S/c1-16(2,14-6-4-5-7-15(14)17)18-22(19,20)13-10-8-12(21-3)9-11-13/h4-11,18H,1-3H3
InChIKeyBJUNFWCPXKYCNX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide

N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 110445897) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID110445897
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO3S/c1-16(2,14-6-4-5-7-15(14)17)18-22(19,20)13-10-8-12(21-3)9-11-13/h4-11,18H,1-3H3
InChIKeyBJUNFWCPXKYCNX-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
N-[1-cyano-1-(2-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135071001
N-[2-(2-fluorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446437
sulfanium;bis(2-(trifluoromethyl)benzenesulfonate);tris(4-methoxyphenyl)sulfanium
CID 157351843
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide (CID 110445897) is N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is BJUNFWCPXKYCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-16(2,14-6-4-5-7-15(14)17)18-22(19,20)13-10-8-12(21-3)9-11-13/h4-11,18H,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide?
N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110445897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).