4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C13H16N4O4S2 — CID 19683635

IUPAC4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C13H16N4O4S2/c1-3-22(18,19)16-11-4-6-12(7-5-11)23(20,21)17-13-14-9-8-10(2)15-13/h4-9,16H,3H2,1-2H3,(H,14,15,17)
InChIKeyGDBLSAKJWCWUMI-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.35
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 19683635) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID19683635
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Name4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C13H16N4O4S2/c1-3-22(18,19)16-11-4-6-12(7-5-11)23(20,21)17-13-14-9-8-10(2)15-13/h4-9,16H,3H2,1-2H3,(H,14,15,17)
InChIKeyGDBLSAKJWCWUMI-UHFFFAOYSA-N
XLogP1.35
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 90518474
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-[[methylidene-(3-methylphenyl)-oxo-lambda6-sulfanyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 3315871
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 42283702
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 19683635) is 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is GDBLSAKJWCWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c1-3-22(18,19)16-11-4-6-12(7-5-11)23(20,21)17-13-14-9-8-10(2)15-13/h4-9,16H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 19683635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).