N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide

C12H17N3O4S — CID 113224255

IUPACN-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H17N3O4S/c13-20(17,18)11-3-1-2-10(8-11)9-14-12(16)15-4-6-19-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)(H2,13,17,18)
InChIKeyGJDVLCRGIQJHPC-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.12
Rot. Bonds3

About N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide

N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 113224255) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
PubChem CID113224255
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H17N3O4S/c13-20(17,18)11-3-1-2-10(8-11)9-14-12(16)15-4-6-19-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)(H2,13,17,18)
InChIKeyGJDVLCRGIQJHPC-UHFFFAOYSA-N
XLogP-0.12
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
CID 124885026
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 63680751
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110354899
N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111210601
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048

Frequently Asked Questions

What is the IUPAC name of N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide (CID 113224255) is N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is GJDVLCRGIQJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-20(17,18)11-3-1-2-10(8-11)9-14-12(16)15-4-6-19-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)(H2,13,17,18).
What are the key properties of N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide?
N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 113224255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).