N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide

C11H14BrN3O3S2 — CID 82908517

IUPACN-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CSCCN2)c(Br)c1
InChIInChI=1S/C11H14BrN3O3S2/c12-8-5-7(20(13,17)18)1-2-9(8)15-11(16)10-6-19-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16)(H2,13,17,18)
InChIKeyUOGUVGPMZSDFHJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP0.74
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide

N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82908517) has the molecular formula C11H14BrN3O3S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
PubChem CID82908517
Molecular FormulaC11H14BrN3O3S2
Molecular Weight380.29 g/mol
Exact Mass378.97
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CSCCN2)c(Br)c1
InChIInChI=1S/C11H14BrN3O3S2/c12-8-5-7(20(13,17)18)1-2-9(8)15-11(16)10-6-19-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16)(H2,13,17,18)
InChIKeyUOGUVGPMZSDFHJ-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43711294
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
4-bromo-3-(thiomorpholine-3-carbonylamino)benzoic acid
CID 107813472
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43709146
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 172895059
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170
N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide (CID 82908517) is N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CSCCN2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is UOGUVGPMZSDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S2/c12-8-5-7(20(13,17)18)1-2-9(8)15-11(16)10-6-19-4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,15,16)(H2,13,17,18).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).