4-(pyrrolidin-3-ylsulfamoyl)benzamide

C11H15N3O3S — CID 62378636

IUPAC4-(pyrrolidin-3-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C11H15N3O3S/c12-11(15)8-1-3-10(4-2-8)18(16,17)14-9-5-6-13-7-9/h1-4,9,13-14H,5-7H2,(H2,12,15)
InChIKeyCLZBQXONWSIXAL-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.57
Rot. Bonds4

About 4-(pyrrolidin-3-ylsulfamoyl)benzamide

4-(pyrrolidin-3-ylsulfamoyl)benzamide (PubChem CID 62378636) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylsulfamoyl)benzamide
PubChem CID62378636
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-(pyrrolidin-3-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C11H15N3O3S/c12-11(15)8-1-3-10(4-2-8)18(16,17)14-9-5-6-13-7-9/h1-4,9,13-14H,5-7H2,(H2,12,15)
InChIKeyCLZBQXONWSIXAL-UHFFFAOYSA-N
XLogP-0.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966760
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-[2-(dimethylamino)ethyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 70720005
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
N,N-dimethyl-4-(piperidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707147
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylsulfamoyl)benzamide?
The IUPAC name of 4-(pyrrolidin-3-ylsulfamoyl)benzamide (CID 62378636) is 4-(pyrrolidin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-(pyrrolidin-3-ylsulfamoyl)benzamide?
The canonical SMILES for 4-(pyrrolidin-3-ylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)NC2CCNC2)cc1.
What is the InChIKey of 4-(pyrrolidin-3-ylsulfamoyl)benzamide?
The InChIKey is CLZBQXONWSIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11(15)8-1-3-10(4-2-8)18(16,17)14-9-5-6-13-7-9/h1-4,9,13-14H,5-7H2,(H2,12,15).
What are the key properties of 4-(pyrrolidin-3-ylsulfamoyl)benzamide?
4-(pyrrolidin-3-ylsulfamoyl)benzamide has a molecular weight of 269.33 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 62378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).