3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide

C17H21N5O3S — CID 99928832

IUPAC3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCc2cnccn2)c1
InChIInChI=1S/C17H21N5O3S/c23-17(22-15-4-6-18-12-15)13-2-1-3-16(10-13)26(24,25)21-7-5-14-11-19-8-9-20-14/h1-3,8-11,15,18,21H,4-7,12H2,(H,22,23)/t15-/m1/s1
InChIKeyMLZPTDZQEXVFEP-OAHLLOKOSA-N
MW375.45 g/mol
LogP0.09
Rot. Bonds7

About 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide

3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 99928832) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID99928832
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCc2cnccn2)c1
InChIInChI=1S/C17H21N5O3S/c23-17(22-15-4-6-18-12-15)13-2-1-3-16(10-13)26(24,25)21-7-5-14-11-19-8-9-20-14/h1-3,8-11,15,18,21H,4-7,12H2,(H,22,23)/t15-/m1/s1
InChIKeyMLZPTDZQEXVFEP-OAHLLOKOSA-N
XLogP0.09
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77091912
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 70787674
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 99928832) is 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1cccc(S(=O)(=O)NCCc2cnccn2)c1.
What is the InChIKey of 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is MLZPTDZQEXVFEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O3S/c23-17(22-15-4-6-18-12-15)13-2-1-3-16(10-13)26(24,25)21-7-5-14-11-19-8-9-20-14/h1-3,8-11,15,18,21H,4-7,12H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 99928832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).