[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate

C14H12ClNO4S — CID 91245772

IUPAC[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ONS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c1-10-6-8-11(9-7-10)14(17)20-16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,1H3
InChIKeyDLUZKYHERLRBKF-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.70
Rot. Bonds4

About [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate

[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate (PubChem CID 91245772) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate.

Molecular Properties

Compound Name[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
PubChem CID91245772
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ONS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c1-10-6-8-11(9-7-10)14(17)20-16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,1H3
InChIKeyDLUZKYHERLRBKF-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] 2-methylbenzoate
CID 90715436
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
CID 91412812
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
CID 117061466
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
methanol;methyl 4-methylbenzoate;toluene
CID 142226695

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate?
The IUPAC name of [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate (CID 91245772) is [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate.
What is the SMILES notation for [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate?
The canonical SMILES for [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate is Cc1ccc(C(=O)ONS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate?
The InChIKey is DLUZKYHERLRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-10-6-8-11(9-7-10)14(17)20-16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,1H3.
What are the key properties of [(2-chlorophenyl)sulfonylamino] 4-methylbenzoate?
[(2-chlorophenyl)sulfonylamino] 4-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] 4-methylbenzoate is sourced from PubChem (CID 91245772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).