3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C22H21ClFNO3S — CID 93207690

IUPAC3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C22H21ClFNO3S/c1-15-7-12-21(14-22(15)23)29(26,27)25(19-10-8-18(24)9-11-19)16(2)17-5-4-6-20(13-17)28-3/h4-14,16H,1-3H3/t16-/m1/s1
InChIKeyZDXLJSRWTMWACP-MRXNPFEDSA-N
MW433.93 g/mol
LogP5.75
Rot. Bonds6

About 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide

3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 93207690) has the molecular formula C22H21ClFNO3S and a molecular weight of 433.93 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID93207690
Molecular FormulaC22H21ClFNO3S
Molecular Weight433.93 g/mol
Exact Mass433.09
IUPAC Name3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C22H21ClFNO3S/c1-15-7-12-21(14-22(15)23)29(26,27)25(19-10-8-18(24)9-11-19)16(2)17-5-4-6-20(13-17)28-3/h4-14,16H,1-3H3/t16-/m1/s1
InChIKeyZDXLJSRWTMWACP-MRXNPFEDSA-N
XLogP5.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 46014813
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93179197
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 93207592
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-[1-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841842
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 93207690) is 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1cccc([C@@H](C)N(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is ZDXLJSRWTMWACP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClFNO3S/c1-15-7-12-21(14-22(15)23)29(26,27)25(19-10-8-18(24)9-11-19)16(2)17-5-4-6-20(13-17)28-3/h4-14,16H,1-3H3/t16-/m1/s1.
What are the key properties of 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 433.93 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 93207690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).