N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide

C13H19N3O4S — CID 114760106

IUPACN-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCNC2)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)16-11-2-4-12(5-3-11)21(19,20)15-9-13(18)6-7-14-8-13/h2-5,14-15,18H,6-9H2,1H3,(H,16,17)
InChIKeyCFXKLEQEJAPVKO-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.35
Rot. Bonds5

About N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 114760106) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID114760106
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCNC2)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)16-11-2-4-12(5-3-11)21(19,20)15-9-13(18)6-7-14-8-13/h2-5,14-15,18H,6-9H2,1H3,(H,16,17)
InChIKeyCFXKLEQEJAPVKO-UHFFFAOYSA-N
XLogP-0.35
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118771640
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114760112
N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
CID 102513772
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
CID 120666406

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide (CID 114760106) is N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CCNC2)cc1.
What is the InChIKey of N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is CFXKLEQEJAPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10(17)16-11-2-4-12(5-3-11)21(19,20)15-9-13(18)6-7-14-8-13/h2-5,14-15,18H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 114760106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).