2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide

C15H21Cl2NO4S — CID 97082555

IUPAC2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide
SMILESCC(C)COC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO4S/c1-9(2)7-22-8-10(3)18-15(19)11-5-14(23(4,20)21)13(17)6-12(11)16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)/t10-/m0/s1
InChIKeyNSJCXZNOIVIMEU-JTQLQIEISA-N
MW382.31 g/mol
LogP3.19
Rot. Bonds7

About 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide

2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide (PubChem CID 97082555) has the molecular formula C15H21Cl2NO4S and a molecular weight of 382.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide
PubChem CID97082555
Molecular FormulaC15H21Cl2NO4S
Molecular Weight382.31 g/mol
Exact Mass381.06
IUPAC Name2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide
SMILESCC(C)COC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO4S/c1-9(2)7-22-8-10(3)18-15(19)11-5-14(23(4,20)21)13(17)6-12(11)16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)/t10-/m0/s1
InChIKeyNSJCXZNOIVIMEU-JTQLQIEISA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
methyl 2,4-dichloro-5-methylsulfonylbenzoate
CID 10660602
2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370659
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
5-(1-ethoxypropan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65396599
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide (CID 97082555) is 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide is CC(C)COC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide?
The InChIKey is NSJCXZNOIVIMEU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21Cl2NO4S/c1-9(2)7-22-8-10(3)18-15(19)11-5-14(23(4,20)21)13(17)6-12(11)16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide?
2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide has a molecular weight of 382.31 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 97082555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).