[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate

C14H12ClNO4S — CID 90715436

IUPAC[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)ONS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-10-6-2-3-7-11(10)14(17)20-16-21(18,19)13-9-5-4-8-12(13)15/h2-9,16H,1H3
InChIKeySHCHNKVMFAIXLY-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.70
Rot. Bonds4

About [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate

[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate (PubChem CID 90715436) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate.

Molecular Properties

Compound Name[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
PubChem CID90715436
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)ONS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-10-6-2-3-7-11(10)14(17)20-16-21(18,19)13-9-5-4-8-12(13)15/h2-9,16H,1H3
InChIKeySHCHNKVMFAIXLY-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
CID 91245772
[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
CID 91412812
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155516741
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,6-dimethylphenyl)acetamide
CID 113058176
(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
CID 110670356
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
ethane;methane;methyl 2-methylbenzoate
CID 168902289
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365
2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
CID 117061466

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate?
The IUPAC name of [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate (CID 90715436) is [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate.
What is the SMILES notation for [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate?
The canonical SMILES for [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate is Cc1ccccc1C(=O)ONS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate?
The InChIKey is SHCHNKVMFAIXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-10-6-2-3-7-11(10)14(17)20-16-21(18,19)13-9-5-4-8-12(13)15/h2-9,16H,1H3.
What are the key properties of [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate?
[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate has a molecular weight of 325.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)sulfonylamino] 2-methylbenzoate is sourced from PubChem (CID 90715436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).