3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide

C17H23N5O3S — CID 77091912

IUPAC3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C17H23N5O3S/c23-17(22-14-6-8-18-12-14)13-3-1-4-15(11-13)26(24,25)21-7-2-5-16-19-9-10-20-16/h1,3-4,9-11,14,18,21H,2,5-8,12H2,(H,19,20)(H,22,23)
InChIKeyMPDPQEDMDOKMHN-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.41
Rot. Bonds8

About 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide

3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 77091912) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
PubChem CID77091912
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C17H23N5O3S/c23-17(22-14-6-8-18-12-14)13-3-1-4-15(11-13)26(24,25)21-7-2-5-16-19-9-10-20-16/h1,3-4,9-11,14,18,21H,2,5-8,12H2,(H,19,20)(H,22,23)
InChIKeyMPDPQEDMDOKMHN-UHFFFAOYSA-N
XLogP0.41
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 99928832
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide (CID 77091912) is 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(S(=O)(=O)NCCCc2ncc[nH]2)c1.
What is the InChIKey of 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is MPDPQEDMDOKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c23-17(22-14-6-8-18-12-14)13-3-1-4-15(11-13)26(24,25)21-7-2-5-16-19-9-10-20-16/h1,3-4,9-11,14,18,21H,2,5-8,12H2,(H,19,20)(H,22,23).
What are the key properties of 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide?
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 377.47 g/mol, XLogP of 0.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 77091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).