1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate

C17H18N2O4S — CID 56793355

IUPAC1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccncc1
InChIInChI=1S/C17H18N2O4S/c1-12(13-7-9-18-10-8-13)23-17(20)14-3-2-4-16(11-14)24(21,22)19-15-5-6-15/h2-4,7-12,15,19H,5-6H2,1H3
InChIKeyCUKSOPHWPPJLRJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.44
Rot. Bonds6

About 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate

1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 56793355) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate
PubChem CID56793355
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccncc1
InChIInChI=1S/C17H18N2O4S/c1-12(13-7-9-18-10-8-13)23-17(20)14-3-2-4-16(11-14)24(21,22)19-15-5-6-15/h2-4,7-12,15,19H,5-6H2,1H3
InChIKeyCUKSOPHWPPJLRJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809117
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 43025432
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46625737
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate (CID 56793355) is 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate is CC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is CUKSOPHWPPJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(13-7-9-18-10-8-13)23-17(20)14-3-2-4-16(11-14)24(21,22)19-15-5-6-15/h2-4,7-12,15,19H,5-6H2,1H3.
What are the key properties of 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate?
1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 346.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 56793355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).