methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

C11H12ClNO4S — CID 32917957

IUPACmethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H12ClNO4S/c1-17-11(14)7-2-5-9(12)10(6-7)18(15,16)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeyDHVSTWMHLHQTHY-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.57
Rot. Bonds4

About methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 32917957) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
PubChem CID32917957
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Namemethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H12ClNO4S/c1-17-11(14)7-2-5-9(12)10(6-7)18(15,16)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeyDHVSTWMHLHQTHY-UHFFFAOYSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 4-chloro-3-[[1-[(3S)-oxolan-3-yl]piperidin-4-yl]sulfamoyl]benzoate
CID 96999446
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091370
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 9062209
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672231
methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 119970907
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 32917957) is methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is DHVSTWMHLHQTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-17-11(14)7-2-5-9(12)10(6-7)18(15,16)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3.
What are the key properties of methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 289.74 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 32917957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).