N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

C21H20FNO2S — CID 42842072

IUPACN-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-5-3-7-18(13-16)15-23(20-11-9-19(22)10-12-20)26(24,25)21-8-4-6-17(2)14-21/h3-14H,15H2,1-2H3
InChIKeyIPQGMFVPIHTHDP-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.84
Rot. Bonds5

About N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 42842072) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID42842072
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-5-3-7-18(13-16)15-23(20-11-9-19(22)10-12-20)26(24,25)21-8-4-6-17(2)14-21/h3-14H,15H2,1-2H3
InChIKeyIPQGMFVPIHTHDP-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46023338
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
(2S)-2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100656639
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 46022695
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022749
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 42842072) is N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is IPQGMFVPIHTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-16-5-3-7-18(13-16)15-23(20-11-9-19(22)10-12-20)26(24,25)21-8-4-6-17(2)14-21/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42842072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).