N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide

C21H19ClFNO2S — CID 93147758

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C21H19ClFNO2S/c1-15-8-13-20(14-21(15)23)27(25,26)24(19-6-4-3-5-7-19)16(2)17-9-11-18(22)12-10-17/h3-14,16H,1-2H3/t16-/m1/s1
InChIKeyCEAMRPWXWJOINW-MRXNPFEDSA-N
MW403.91 g/mol
LogP5.74
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 93147758) has the molecular formula C21H19ClFNO2S and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
PubChem CID93147758
Molecular FormulaC21H19ClFNO2S
Molecular Weight403.91 g/mol
Exact Mass403.08
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C21H19ClFNO2S/c1-15-8-13-20(14-21(15)23)27(25,26)24(19-6-4-3-5-7-19)16(2)17-9-11-18(22)12-10-17/h3-14,16H,1-2H3/t16-/m1/s1
InChIKeyCEAMRPWXWJOINW-MRXNPFEDSA-N
XLogP5.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023173
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93179150
3-chloro-4-fluoro-N-(4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93207529
3-chloro-4-fluoro-N-(4-methylphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023151
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-(3-fluoro-4-methylphenyl)-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 93207315
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207668
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 93207092
N-[1-(4-methylphenyl)ethyl]-3-nitro-N-phenylbenzenesulfonamide
CID 46152610
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide (CID 93147758) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is CEAMRPWXWJOINW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19ClFNO2S/c1-15-8-13-20(14-21(15)23)27(25,26)24(19-6-4-3-5-7-19)16(2)17-9-11-18(22)12-10-17/h3-14,16H,1-2H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 403.91 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 93147758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).