[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate

C16H17ClN2O4S — CID 99802669

IUPAC[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
SMILESCCNc1ccc(Cl)cc1C(=O)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-3-18-15-9-4-11(17)10-14(15)16(20)23-13-7-5-12(6-8-13)19-24(2,21)22/h4-10,18-19H,3H2,1-2H3
InChIKeyLADLDKRKJCUWLJ-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.36
Rot. Bonds6

About [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate

[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate (PubChem CID 99802669) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate.

Molecular Properties

Compound Name[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
PubChem CID99802669
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
SMILESCCNc1ccc(Cl)cc1C(=O)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-3-18-15-9-4-11(17)10-14(15)16(20)23-13-7-5-12(6-8-13)19-24(2,21)22/h4-10,18-19H,3H2,1-2H3
InChIKeyLADLDKRKJCUWLJ-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
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5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
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N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate
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N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate
CID 99795603
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
CID 20851144
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260

Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate?
The IUPAC name of [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate (CID 99802669) is [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate.
What is the SMILES notation for [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate?
The canonical SMILES for [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate is CCNc1ccc(Cl)cc1C(=O)Oc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate?
The InChIKey is LADLDKRKJCUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-3-18-15-9-4-11(17)10-14(15)16(20)23-13-7-5-12(6-8-13)19-24(2,21)22/h4-10,18-19H,3H2,1-2H3.
What are the key properties of [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate?
[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate has a molecular weight of 368.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate is sourced from PubChem (CID 99802669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).