(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide

C11H14BrN3O3S — CID 96542782

IUPAC(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide
SMILESNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrN3O3S/c12-8-1-3-9(4-2-8)14-11(16)15-6-5-10(7-15)19(13,17)18/h1-4,10H,5-7H2,(H,14,16)(H2,13,17,18)/t10-/m1/s1
InChIKeyYZUHEMKQHWRIHD-SNVBAGLBSA-N
MW348.22 g/mol
LogP1.34
Rot. Bonds2

About (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide

(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide (PubChem CID 96542782) has the molecular formula C11H14BrN3O3S and a molecular weight of 348.22 g/mol. Its IUPAC name is (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide
PubChem CID96542782
Molecular FormulaC11H14BrN3O3S
Molecular Weight348.22 g/mol
Exact Mass346.99
IUPAC Name(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide
SMILESNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrN3O3S/c12-8-1-3-9(4-2-8)14-11(16)15-6-5-10(7-15)19(13,17)18/h1-4,10H,5-7H2,(H,14,16)(H2,13,17,18)/t10-/m1/s1
InChIKeyYZUHEMKQHWRIHD-SNVBAGLBSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide (CID 96542782) is (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide is NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide?
The InChIKey is YZUHEMKQHWRIHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrN3O3S/c12-8-1-3-9(4-2-8)14-11(16)15-6-5-10(7-15)19(13,17)18/h1-4,10H,5-7H2,(H,14,16)(H2,13,17,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide?
(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide has a molecular weight of 348.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide is sourced from PubChem (CID 96542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).