(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate

C15H21N5O4S — CID 30764204

IUPAC(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
SMILESCCCCn1nnnc1COC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H21N5O4S/c1-3-5-9-20-14(17-18-19-20)11-24-15(21)12-7-6-8-13(10-12)25(22,23)16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3
InChIKeyLEAYARVVICQJBI-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.13
Rot. Bonds9

About (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate

(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate (PubChem CID 30764204) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
PubChem CID30764204
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
SMILESCCCCn1nnnc1COC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H21N5O4S/c1-3-5-9-20-14(17-18-19-20)11-24-15(21)12-7-6-8-13(10-12)25(22,23)16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3
InChIKeyLEAYARVVICQJBI-UHFFFAOYSA-N
XLogP1.13
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
(1-butyltetrazol-5-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55999037
(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
CID 55397232
(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701272
(1-butyltetrazol-5-yl)methyl 4-bromo-3-nitrobenzoate
CID 7715995
(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55624067
3-(benzenesulfonyl)propyl 3-(ethylsulfamoyl)benzoate
CID 55821713
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30767092
(6-chloro-3-pyridinyl)methyl 3-(ethylsulfamoyl)benzoate
CID 30749513
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-butyltetrazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562305

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate (CID 30764204) is (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate is CCCCn1nnnc1COC(=O)c1cccc(S(=O)(=O)NCC)c1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate?
The InChIKey is LEAYARVVICQJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-3-5-9-20-14(17-18-19-20)11-24-15(21)12-7-6-8-13(10-12)25(22,23)16-4-2/h6-8,10,16H,3-5,9,11H2,1-2H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate?
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate has a molecular weight of 367.43 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 30764204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).