N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C18H21ClN2O3S — CID 126213924

IUPACN-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)17-9-6-14(7-10-17)8-11-18(22)20-16-5-3-4-15(19)12-16/h3-7,9-10,12-13,21H,8,11H2,1-2H3,(H,20,22)
InChIKeyYAQDIYORJOTPPD-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.60
Rot. Bonds7

About N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 126213924) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID126213924
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)17-9-6-14(7-10-17)8-11-18(22)20-16-5-3-4-15(19)12-16/h3-7,9-10,12-13,21H,8,11H2,1-2H3,(H,20,22)
InChIKeyYAQDIYORJOTPPD-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 3661392
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126244326

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 126213924) is N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is YAQDIYORJOTPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)17-9-6-14(7-10-17)8-11-18(22)20-16-5-3-4-15(19)12-16/h3-7,9-10,12-13,21H,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.60, 7 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-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 126213924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).