N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide

C20H18FNO2S — CID 46023035

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C20H18FNO2S/c1-16-6-5-9-20(14-16)25(23,24)22(19-7-3-2-4-8-19)15-17-10-12-18(21)13-11-17/h2-14H,15H2,1H3
InChIKeyXMKBBBLEIYDSIJ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.53
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide (PubChem CID 46023035) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
PubChem CID46023035
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C20H18FNO2S/c1-16-6-5-9-20(14-16)25(23,24)22(19-7-3-2-4-8-19)15-17-10-12-18(21)13-11-17/h2-14H,15H2,1H3
InChIKeyXMKBBBLEIYDSIJ-UHFFFAOYSA-N
XLogP4.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide (CID 46023035) is N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
The InChIKey is XMKBBBLEIYDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-16-6-5-9-20(14-16)25(23,24)22(19-7-3-2-4-8-19)15-17-10-12-18(21)13-11-17/h2-14H,15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 46023035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).