(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate

C15H14ClNO4S — CID 7994023

IUPAC(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
SMILESCc1ccccc1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H14ClNO4S/c1-10-4-2-3-5-11(10)9-21-15(18)13-8-12(22(17,19)20)6-7-14(13)16/h2-8H,9H2,1H3,(H2,17,19,20)
InChIKeyMMULHJQHDCKKSK-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.65
Rot. Bonds4

About (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate

(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate (PubChem CID 7994023) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
PubChem CID7994023
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
SMILESCc1ccccc1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H14ClNO4S/c1-10-4-2-3-5-11(10)9-21-15(18)13-8-12(22(17,19)20)6-7-14(13)16/h2-8H,9H2,1H3,(H2,17,19,20)
InChIKeyMMULHJQHDCKKSK-UHFFFAOYSA-N
XLogP2.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994009
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888
(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878752
(4,5-dimethoxy-2-methylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7466287
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
(2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297939
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-sulfamoylbenzoate
CID 55492427
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 2502829
(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 7844428
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993898

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate?
The IUPAC name of (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate (CID 7994023) is (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate.
What is the SMILES notation for (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate?
The canonical SMILES for (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate is Cc1ccccc1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate?
The InChIKey is MMULHJQHDCKKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-10-4-2-3-5-11(10)9-21-15(18)13-8-12(22(17,19)20)6-7-14(13)16/h2-8H,9H2,1H3,(H2,17,19,20).
What are the key properties of (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate?
(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate has a molecular weight of 339.80 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate is sourced from PubChem (CID 7994023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).