N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide

C17H23N5O3S — CID 99927465

IUPACN-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESO=C(NCCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCNC2)c1
InChIInChI=1S/C17H23N5O3S/c23-17(19-7-2-10-22-11-3-8-20-22)14-4-1-5-16(12-14)26(24,25)21-15-6-9-18-13-15/h1,3-5,8,11-12,15,18,21H,2,6-7,9-10,13H2,(H,19,23)/t15-/m0/s1
InChIKeyCGBFPYIIQWPVMX-HNNXBMFYSA-N
MW377.47 g/mol
LogP0.34
Rot. Bonds8

About N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide

N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide (PubChem CID 99927465) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
PubChem CID99927465
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESO=C(NCCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCNC2)c1
InChIInChI=1S/C17H23N5O3S/c23-17(19-7-2-10-22-11-3-8-20-22)14-4-1-5-16(12-14)26(24,25)21-15-6-9-18-13-15/h1,3-5,8,11-12,15,18,21H,2,6-7,9-10,13H2,(H,19,23)/t15-/m0/s1
InChIKeyCGBFPYIIQWPVMX-HNNXBMFYSA-N
XLogP0.34
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
CID 72866477
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide (CID 99927465) is N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide is O=C(NCCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCNC2)c1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The InChIKey is CGBFPYIIQWPVMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c23-17(19-7-2-10-22-11-3-8-20-22)14-4-1-5-16(12-14)26(24,25)21-15-6-9-18-13-15/h1,3-5,8,11-12,15,18,21H,2,6-7,9-10,13H2,(H,19,23)/t15-/m0/s1.
What are the key properties of N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide?
N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 99927465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).