methyl 5-chloro-2-(methanesulfonamido)benzoate

C9H10ClNO4S — CID 18350480

IUPACmethyl 5-chloro-2-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)7-5-6(10)3-4-8(7)11-16(2,13)14/h3-5,11H,1-2H3
InChIKeyMADODJQGJXBMTQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.50
Rot. Bonds3

About methyl 5-chloro-2-(methanesulfonamido)benzoate

methyl 5-chloro-2-(methanesulfonamido)benzoate (PubChem CID 18350480) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is methyl 5-chloro-2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(methanesulfonamido)benzoate
PubChem CID18350480
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Namemethyl 5-chloro-2-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)7-5-6(10)3-4-8(7)11-16(2,13)14/h3-5,11H,1-2H3
InChIKeyMADODJQGJXBMTQ-UHFFFAOYSA-N
XLogP1.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
methyl 2-(bromomethylsulfonylamino)-5-chlorobenzoate
CID 83085221
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 5-chloro-2-methylsulfonylbenzoate
CID 66877882
4-chloro-2-methoxycarbonyl-1-(sulfinoamino)benzene
CID 71212919
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(methanesulfonamido)benzoate?
The IUPAC name of methyl 5-chloro-2-(methanesulfonamido)benzoate (CID 18350480) is methyl 5-chloro-2-(methanesulfonamido)benzoate.
What is the SMILES notation for methyl 5-chloro-2-(methanesulfonamido)benzoate?
The canonical SMILES for methyl 5-chloro-2-(methanesulfonamido)benzoate is COC(=O)c1cc(Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of methyl 5-chloro-2-(methanesulfonamido)benzoate?
The InChIKey is MADODJQGJXBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-15-9(12)7-5-6(10)3-4-8(7)11-16(2,13)14/h3-5,11H,1-2H3.
What are the key properties of methyl 5-chloro-2-(methanesulfonamido)benzoate?
methyl 5-chloro-2-(methanesulfonamido)benzoate has a molecular weight of 263.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(methanesulfonamido)benzoate is sourced from PubChem (CID 18350480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).