N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C23H23ClN2O3S — CID 126237934

IUPACN-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H23ClN2O3S/c1-17(19-6-3-2-4-7-19)26-30(28,29)22-13-10-18(11-14-22)12-15-23(27)25-21-9-5-8-20(24)16-21/h2-11,13-14,16-17,26H,12,15H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyLZJFYXFAZDHRLH-KRWDZBQOSA-N
MW442.97 g/mol
LogP4.95
Rot. Bonds8

About N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126237934) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126237934
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H23ClN2O3S/c1-17(19-6-3-2-4-7-19)26-30(28,29)22-13-10-18(11-14-22)12-15-23(27)25-21-9-5-8-20(24)16-21/h2-11,13-14,16-17,26H,12,15H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyLZJFYXFAZDHRLH-KRWDZBQOSA-N
XLogP4.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126244326
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-[4-(cyanomethyl)phenyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 100796380
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126237934) is N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is LZJFYXFAZDHRLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-17(19-6-3-2-4-7-19)26-30(28,29)22-13-10-18(11-14-22)12-15-23(27)25-21-9-5-8-20(24)16-21/h2-11,13-14,16-17,26H,12,15H2,1H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 442.97 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126237934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).