methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate

C14H15ClN2O4S2 — CID 124618800

IUPACmethyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C)c2nccs2)cc1Cl
InChIInChI=1S/C14H15ClN2O4S2/c1-9(13-16-5-6-22-13)8-17-23(19,20)10-3-4-11(12(15)7-10)14(18)21-2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyFNOAZMYYODHUKG-VIFPVBQESA-N
MW374.87 g/mol
LogP2.67
Rot. Bonds6

About methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate

methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate (PubChem CID 124618800) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate
PubChem CID124618800
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Namemethyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C)c2nccs2)cc1Cl
InChIInChI=1S/C14H15ClN2O4S2/c1-9(13-16-5-6-22-13)8-17-23(19,20)10-3-4-11(12(15)7-10)14(18)21-2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyFNOAZMYYODHUKG-VIFPVBQESA-N
XLogP2.67
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 104600728
methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
CID 124687144
methyl 2-chloro-4-[[(2S)-2-(dimethylamino)-2-phenylethyl]sulfamoyl]benzoate
CID 124573264
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]-2-chlorobenzoate
CID 119043375
methyl 2-bromo-5-(2-methylpropylsulfamoyl)benzoate
CID 47131741
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate (CID 124618800) is methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)c2nccs2)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate?
The InChIKey is FNOAZMYYODHUKG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-9(13-16-5-6-22-13)8-17-23(19,20)10-3-4-11(12(15)7-10)14(18)21-2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate?
methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate has a molecular weight of 374.87 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate is sourced from PubChem (CID 124618800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).