4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide

C19H20N4O4S2 — CID 19683655

IUPAC4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-3-15-4-8-17(9-5-15)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-13-20-14(2)21-19/h4-13,22H,3H2,1-2H3,(H,20,21,23)
InChIKeyVHNJOGHNLVFYGY-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.95
Rot. Bonds7

About 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide

4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 19683655) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID19683655
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-3-15-4-8-17(9-5-15)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-13-20-14(2)21-19/h4-13,22H,3H2,1-2H3,(H,20,21,23)
InChIKeyVHNJOGHNLVFYGY-UHFFFAOYSA-N
XLogP2.95
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683682
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683690
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
CID 19683694
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-ethylbenzenesulfonamide
CID 122296687
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-ethyl-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3256237
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 19683655) is 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is VHNJOGHNLVFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-3-15-4-8-17(9-5-15)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-13-20-14(2)21-19/h4-13,22H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 19683655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).