2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide

C25H25ClN4O7S2 — CID 22495930

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3C=NCCC3)cc2)cc1OC
InChIInChI=1S/C25H25ClN4O7S2/c1-36-23-14-21(22(15-24(23)37-2)29-38(32,33)19-8-4-17(26)5-9-19)25(31)28-18-6-10-20(11-7-18)39(34,35)30-13-3-12-27-16-30/h4-11,14-16,29H,3,12-13H2,1-2H3,(H,28,31)
InChIKeyRMPRVIYEWLMCDQ-UHFFFAOYSA-N
MW593.08 g/mol
LogP3.83
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide

2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide (PubChem CID 22495930) has the molecular formula C25H25ClN4O7S2 and a molecular weight of 593.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide
PubChem CID22495930
Molecular FormulaC25H25ClN4O7S2
Molecular Weight593.08 g/mol
Exact Mass592.09
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3C=NCCC3)cc2)cc1OC
InChIInChI=1S/C25H25ClN4O7S2/c1-36-23-14-21(22(15-24(23)37-2)29-38(32,33)19-8-4-17(26)5-9-19)25(31)28-18-6-10-20(11-7-18)39(34,35)30-13-3-12-27-16-30/h4-11,14-16,29H,3,12-13H2,1-2H3,(H,28,31)
InChIKeyRMPRVIYEWLMCDQ-UHFFFAOYSA-N
XLogP3.83
TPSA143.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.08
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxy-N-[4-[1-(1,3-thiazolidin-3-yl)prop-2-enylsulfonyl]phenyl]benzamide
CID 175237943
4,5-dimethoxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-thiomorpholin-4-ylsulfonylphenyl)benzamide;methane
CID 159413012
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 22495963
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 34360846
methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
CID 19170724
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
5-(azepan-1-ylsulfonyl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 43882708
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide (CID 22495930) is 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide is COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3C=NCCC3)cc2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide?
The InChIKey is RMPRVIYEWLMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O7S2/c1-36-23-14-21(22(15-24(23)37-2)29-38(32,33)19-8-4-17(26)5-9-19)25(31)28-18-6-10-20(11-7-18)39(34,35)30-13-3-12-27-16-30/h4-11,14-16,29H,3,12-13H2,1-2H3,(H,28,31).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide has a molecular weight of 593.08 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[4-(5,6-dihydro-4H-pyrimidin-1-ylsulfonyl)phenyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 22495930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).