[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate

C11H11Cl2NO4S — CID 23469430

IUPAC[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Cl)cc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H11Cl2NO4S/c1-6(2)11(15)18-10-8(12)4-7(5-9(10)13)14-19(3,16)17/h4-5,14H,1H2,2-3H3
InChIKeyPSHCCUVDDXVKDZ-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.85
Rot. Bonds4

About [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate

[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate (PubChem CID 23469430) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate
PubChem CID23469430
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Cl)cc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H11Cl2NO4S/c1-6(2)11(15)18-10-8(12)4-7(5-9(10)13)14-19(3,16)17/h4-5,14H,1H2,2-3H3
InChIKeyPSHCCUVDDXVKDZ-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406918
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
[6-chloro-4-methoxycarbonyloxy-1-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 163406887
[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
CID 90080921
[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406978
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
[4-[3-chloro-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 67472309
5-chloro-2-(2-methylprop-2-enoyloxy)benzoic acid
CID 22095550

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate (CID 23469430) is [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(Cl)cc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate?
The InChIKey is PSHCCUVDDXVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c1-6(2)11(15)18-10-8(12)4-7(5-9(10)13)14-19(3,16)17/h4-5,14H,1H2,2-3H3.
What are the key properties of [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate?
[2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate has a molecular weight of 324.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-(methanesulfonamido)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 23469430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).