N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide

C12H16BrN3O3S — CID 120707655

IUPACN-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCNC2)cc1Br
InChIInChI=1S/C12H16BrN3O3S/c1-8(17)15-12-3-2-10(6-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyHTTGQNUOCXDMNT-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.05
Rot. Bonds4

About N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide

N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 120707655) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID120707655
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC NameN-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCNC2)cc1Br
InChIInChI=1S/C12H16BrN3O3S/c1-8(17)15-12-3-2-10(6-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyHTTGQNUOCXDMNT-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
3-bromo-4-ethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967107
N-[4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-2-bromophenyl]acetamide
CID 120714086
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide (CID 120707655) is N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCNC2)cc1Br.
What is the InChIKey of N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is HTTGQNUOCXDMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-8(17)15-12-3-2-10(6-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 362.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 120707655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).