4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide

C22H26N4O4S2 — CID 19683735

IUPAC4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-4-5-6-18-7-11-20(12-8-18)31(27,28)25-19-9-13-21(14-10-19)32(29,30)26-22-23-16(2)15-17(3)24-22/h7-15,25H,4-6H2,1-3H3,(H,23,24,26)
InChIKeyCYJRHPOYOICSMQ-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.04
Rot. Bonds9

About 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide

4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 19683735) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID19683735
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-4-5-6-18-7-11-20(12-8-18)31(27,28)25-19-9-13-21(14-10-19)32(29,30)26-22-23-16(2)15-17(3)24-22/h7-15,25H,4-6H2,1-3H3,(H,23,24,26)
InChIKeyCYJRHPOYOICSMQ-UHFFFAOYSA-N
XLogP4.04
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
CID 53266036
4-(diethylphosphorylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 134111248
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
CID 63422557
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 19683735) is 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is CYJRHPOYOICSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-4-5-6-18-7-11-20(12-8-18)31(27,28)25-19-9-13-21(14-10-19)32(29,30)26-22-23-16(2)15-17(3)24-22/h7-15,25H,4-6H2,1-3H3,(H,23,24,26).
What are the key properties of 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide?
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 474.61 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 19683735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).