3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride

C11H10Cl3NO3S — CID 43111105

IUPAC3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
SMILESCC1CC1C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO3S/c1-5-2-7(5)11(16)15-10-8(12)3-6(4-9(10)13)19(14,17)18/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyLQEZTCAKOIKUDM-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.52
Rot. Bonds3

About 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride

3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride (PubChem CID 43111105) has the molecular formula C11H10Cl3NO3S and a molecular weight of 342.63 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
PubChem CID43111105
Molecular FormulaC11H10Cl3NO3S
Molecular Weight342.63 g/mol
Exact Mass340.94
IUPAC Name3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
SMILESCC1CC1C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO3S/c1-5-2-7(5)11(16)15-10-8(12)3-6(4-9(10)13)19(14,17)18/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyLQEZTCAKOIKUDM-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107180023
3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
CID 43103226
3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
CID 43109589
3-chloro-4-[(2,2-dimethylcyclopropanecarbonyl)amino]-5-methylbenzenesulfonyl chloride
CID 107002055
3-chloro-5-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 66262669
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 103891112
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
CID 43549410

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride (CID 43111105) is 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride is CC1CC1C(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride?
The InChIKey is LQEZTCAKOIKUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO3S/c1-5-2-7(5)11(16)15-10-8(12)3-6(4-9(10)13)19(14,17)18/h3-5,7H,2H2,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride?
3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride has a molecular weight of 342.63 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-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43111105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).