N-(4-sulfamoylphenyl)thiane-2-carboxamide

C12H16N2O3S2 — CID 80595906

IUPACN-(4-sulfamoylphenyl)thiane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCCCS2)cc1
InChIInChI=1S/C12H16N2O3S2/c13-19(16,17)10-6-4-9(5-7-10)14-12(15)11-3-1-2-8-18-11/h4-7,11H,1-3,8H2,(H,14,15)(H2,13,16,17)
InChIKeyGHIMDRZQFYBHFS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.56
Rot. Bonds3

About N-(4-sulfamoylphenyl)thiane-2-carboxamide

N-(4-sulfamoylphenyl)thiane-2-carboxamide (PubChem CID 80595906) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)thiane-2-carboxamide
PubChem CID80595906
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC NameN-(4-sulfamoylphenyl)thiane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCCCS2)cc1
InChIInChI=1S/C12H16N2O3S2/c13-19(16,17)10-6-4-9(5-7-10)14-12(15)11-3-1-2-8-18-11/h4-7,11H,1-3,8H2,(H,14,15)(H2,13,16,17)
InChIKeyGHIMDRZQFYBHFS-UHFFFAOYSA-N
XLogP1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]thiane-2-carboxamide
CID 80595530
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
N-(4-propan-2-ylphenyl)thiolane-2-carboxamide
CID 110858135
N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide
CID 110863351
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
1-(2-oxoazepan-3-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 18207382
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
CID 80595560
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)thiane-2-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)thiane-2-carboxamide (CID 80595906) is N-(4-sulfamoylphenyl)thiane-2-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)thiane-2-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)thiane-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCCCS2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)thiane-2-carboxamide?
The InChIKey is GHIMDRZQFYBHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c13-19(16,17)10-6-4-9(5-7-10)14-12(15)11-3-1-2-8-18-11/h4-7,11H,1-3,8H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-(4-sulfamoylphenyl)thiane-2-carboxamide?
N-(4-sulfamoylphenyl)thiane-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)thiane-2-carboxamide is sourced from PubChem (CID 80595906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).