2-methylpentyl 2-methoxy-5-sulfamoylbenzoate

C14H21NO5S — CID 103286167

IUPAC2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
SMILESCCCC(C)COC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C14H21NO5S/c1-4-5-10(2)9-20-14(16)12-8-11(21(15,17)18)6-7-13(12)19-3/h6-8,10H,4-5,9H2,1-3H3,(H2,15,17,18)
InChIKeyBWIWGSYTCHFQJD-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.94
Rot. Bonds7

About 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate

2-methylpentyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 103286167) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID103286167
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
SMILESCCCC(C)COC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C14H21NO5S/c1-4-5-10(2)9-20-14(16)12-8-11(21(15,17)18)6-7-13(12)19-3/h6-8,10H,4-5,9H2,1-3H3,(H2,15,17,18)
InChIKeyBWIWGSYTCHFQJD-UHFFFAOYSA-N
XLogP1.94
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
CID 38280263
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890501
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890570

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate (CID 103286167) is 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate is CCCC(C)COC(=O)c1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is BWIWGSYTCHFQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-5-10(2)9-20-14(16)12-8-11(21(15,17)18)6-7-13(12)19-3/h6-8,10H,4-5,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate?
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 315.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 103286167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).