N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide

C17H22N4O4S — CID 74242784

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
SMILESCn1nccc1CCNC(=O)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C17H22N4O4S/c1-21-15(6-9-19-21)5-8-18-17(22)13-3-2-4-16(11-13)26(23,24)20-14-7-10-25-12-14/h2-4,6,9,11,14,20H,5,7-8,10,12H2,1H3,(H,18,22)
InChIKeyBALPRXTZZNDSMO-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.46
Rot. Bonds7

About N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide

N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide (PubChem CID 74242784) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
PubChem CID74242784
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
SMILESCn1nccc1CCNC(=O)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C17H22N4O4S/c1-21-15(6-9-19-21)5-8-18-17(22)13-3-2-4-16(11-13)26(23,24)20-14-7-10-25-12-14/h2-4,6,9,11,14,20H,5,7-8,10,12H2,1H3,(H,18,22)
InChIKeyBALPRXTZZNDSMO-UHFFFAOYSA-N
XLogP0.46
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
CID 97187261
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide (CID 74242784) is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide is Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide?
The InChIKey is BALPRXTZZNDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-21-15(6-9-19-21)5-8-18-17(22)13-3-2-4-16(11-13)26(23,24)20-14-7-10-25-12-14/h2-4,6,9,11,14,20H,5,7-8,10,12H2,1H3,(H,18,22).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 74242784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).