methyl 5-chloro-2-(sulfamoylamino)benzoate

C8H9ClN2O4S — CID 112573330

IUPACmethyl 5-chloro-2-(sulfamoylamino)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(N)(=O)=O
InChIInChI=1S/C8H9ClN2O4S/c1-15-8(12)6-4-5(9)2-3-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14)
InChIKeyKVGUOEKITMOZNI-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.74
Rot. Bonds3

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

methyl 5-chloro-2-(sulfamoylamino)benzoate (PubChem CID 112573330) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is methyl 5-chloro-2-(sulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(sulfamoylamino)benzoate
PubChem CID112573330
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Namemethyl 5-chloro-2-(sulfamoylamino)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(N)(=O)=O
InChIInChI=1S/C8H9ClN2O4S/c1-15-8(12)6-4-5(9)2-3-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14)
InChIKeyKVGUOEKITMOZNI-UHFFFAOYSA-N
XLogP0.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
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 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(sulfamoylamino)benzoate?
The IUPAC name of methyl 5-chloro-2-(sulfamoylamino)benzoate (CID 112573330) is methyl 5-chloro-2-(sulfamoylamino)benzoate.
What is the SMILES notation for methyl 5-chloro-2-(sulfamoylamino)benzoate?
The canonical SMILES for methyl 5-chloro-2-(sulfamoylamino)benzoate is COC(=O)c1cc(Cl)ccc1NS(N)(=O)=O.
What is the InChIKey of methyl 5-chloro-2-(sulfamoylamino)benzoate?
The InChIKey is KVGUOEKITMOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-15-8(12)6-4-5(9)2-3-7(6)11-16(10,13)14/h2-4,11H,1H3,(H2,10,13,14).
What are the key properties of methyl 5-chloro-2-(sulfamoylamino)benzoate?
methyl 5-chloro-2-(sulfamoylamino)benzoate has a molecular weight of 264.69 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(sulfamoylamino)benzoate is sourced from PubChem (CID 112573330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).