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

C18H21ClN2O3S — CID 3661392

IUPACN-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)15-10-7-14(8-11-15)9-12-18(22)20-17-6-4-3-5-16(17)19/h3-8,10-11,13,21H,9,12H2,1-2H3,(H,20,22)
InChIKeyDXAKDFWDQHIKEF-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.60
Rot. Bonds7

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

N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 3661392) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID3661392
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)15-10-7-14(8-11-15)9-12-18(22)20-17-6-4-3-5-16(17)19/h3-8,10-11,13,21H,9,12H2,1-2H3,(H,20,22)
InChIKeyDXAKDFWDQHIKEF-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-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 100602358
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 3661392) is N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is DXAKDFWDQHIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)21-25(23,24)15-10-7-14(8-11-15)9-12-18(22)20-17-6-4-3-5-16(17)19/h3-8,10-11,13,21H,9,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-(2-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-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).