N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide

C18H14ClN5O5S — CID 177371316

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H14ClN5O5S/c19-14-7-2-1-4-12(14)9-21-23-16(25)11-5-3-6-13(8-11)24-30(28,29)15-10-20-18(27)22-17(15)26/h1-10,24H,(H,23,25)(H2,20,22,26,27)/b21-9+
InChIKeyZJHDEJFGXSRYJQ-ZVBGSRNCSA-N
MW447.86 g/mol
LogP1.28
Rot. Bonds6

About N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide

N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide (PubChem CID 177371316) has the molecular formula C18H14ClN5O5S and a molecular weight of 447.86 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
PubChem CID177371316
Molecular FormulaC18H14ClN5O5S
Molecular Weight447.86 g/mol
Exact Mass447.04
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H14ClN5O5S/c19-14-7-2-1-4-12(14)9-21-23-16(25)11-5-3-6-13(8-11)24-30(28,29)15-10-20-18(27)22-17(15)26/h1-10,24H,(H,23,25)(H2,20,22,26,27)/b21-9+
InChIKeyZJHDEJFGXSRYJQ-ZVBGSRNCSA-N
XLogP1.28
TPSA153.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-bromophenyl)methylideneamino]-4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371333
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 177371324
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
N-(3,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244628
5-tert-butyl-N-[(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760685
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
2-[2-[[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2390321
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
2-chloro-N-[3-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496124

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide (CID 177371316) is N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide is O=C(N/N=C/c1ccccc1Cl)c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide?
The InChIKey is ZJHDEJFGXSRYJQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H14ClN5O5S/c19-14-7-2-1-4-12(14)9-21-23-16(25)11-5-3-6-13(8-11)24-30(28,29)15-10-20-18(27)22-17(15)26/h1-10,24H,(H,23,25)(H2,20,22,26,27)/b21-9+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide has a molecular weight of 447.86 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 177371316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).