N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide

C20H20N4O3S — CID 998055

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-5-4-6-16(11-13)19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyJGJMYNZUNBIRBW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 998055) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID998055
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-5-4-6-16(11-13)19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyJGJMYNZUNBIRBW-UHFFFAOYSA-N
XLogP3.45
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N4-Acetylsulfamethazine
CID 66855
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084460
N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-isobutyramide
CID 728482
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
3-Acyl-2,6-diaminopyridine deriv. 2t
CID 5330834
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-3-p-tolyl-acrylamide
CID 1116436
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
N-(2,6-dimethylpyrimidin-4-yl)-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1224219
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2,3,4,5,6-pentafluorobenzamide
CID 1744440
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
3-[methyl(phenyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 2334656
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenylbutanamide
CID 2915170

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide (CID 998055) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is JGJMYNZUNBIRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-5-4-6-16(11-13)19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide has a molecular weight of 396.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 998055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).