3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride

C10H10Cl3NO3S — CID 43109589

IUPAC3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
SMILESCC(C)C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO3S/c1-5(2)10(15)14-9-7(11)3-6(4-8(9)12)18(13,16)17/h3-5H,1-2H3,(H,14,15)
InChIKeyQWNQRCABLSSDRO-UHFFFAOYSA-N
MW330.62 g/mol
LogP3.52
Rot. Bonds3

About 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride

3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride (PubChem CID 43109589) has the molecular formula C10H10Cl3NO3S and a molecular weight of 330.62 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
PubChem CID43109589
Molecular FormulaC10H10Cl3NO3S
Molecular Weight330.62 g/mol
Exact Mass328.94
IUPAC Name3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
SMILESCC(C)C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO3S/c1-5(2)10(15)14-9-7(11)3-6(4-8(9)12)18(13,16)17/h3-5H,1-2H3,(H,14,15)
InChIKeyQWNQRCABLSSDRO-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
CID 43111105
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 43097505
3,5-difluoro-4-(2-methylpentanoylamino)benzenesulfonyl chloride
CID 43100342
4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
CID 83154456
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
CID 43103226
3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 66262671
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
CID 82830134
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 83154243

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride (CID 43109589) is 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride is CC(C)C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride?
The InChIKey is QWNQRCABLSSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO3S/c1-5(2)10(15)14-9-7(11)3-6(4-8(9)12)18(13,16)17/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride?
3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride has a molecular weight of 330.62 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43109589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).