4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C19H18Cl2N4O4S2 — CID 92674544

IUPAC4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O4S2/c1-12-10-13(2)23-19(22-12)25-31(28,29)15-8-6-14(7-9-15)24-30(26,27)11-16-17(20)4-3-5-18(16)21/h3-10,24H,11H2,1-2H3,(H,22,23,25)
InChIKeyWPPOYWGJKROHQE-UHFFFAOYSA-N
MW501.42 g/mol
LogP4.14
Rot. Bonds7

About 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 92674544) has the molecular formula C19H18Cl2N4O4S2 and a molecular weight of 501.42 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID92674544
Molecular FormulaC19H18Cl2N4O4S2
Molecular Weight501.42 g/mol
Exact Mass500.01
IUPAC Name4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O4S2/c1-12-10-13(2)23-19(22-12)25-31(28,29)15-8-6-14(7-9-15)24-30(26,27)11-16-17(20)4-3-5-18(16)21/h3-10,24H,11H2,1-2H3,(H,22,23,25)
InChIKeyWPPOYWGJKROHQE-UHFFFAOYSA-N
XLogP4.14
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.42
LogP ≤ 54.14
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
(E)-3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 6012467
3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 4110930
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 92674544) is 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)n1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is WPPOYWGJKROHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O4S2/c1-12-10-13(2)23-19(22-12)25-31(28,29)15-8-6-14(7-9-15)24-30(26,27)11-16-17(20)4-3-5-18(16)21/h3-10,24H,11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 501.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylsulfonylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 92674544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).