4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide

C19H21ClN4O5S — CID 55532770

IUPAC4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)ccc1Cl
InChIInChI=1S/C19H21ClN4O5S/c1-24(29-2)30(27,28)17-11-12(3-10-16(17)20)18(25)21-13-4-6-14(7-5-13)22-19(26)23-15-8-9-15/h3-7,10-11,15H,8-9H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyVXTOCQVOBJKKSP-UHFFFAOYSA-N
MW452.92 g/mol
LogP3.06
Rot. Bonds7

About 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide

4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55532770) has the molecular formula C19H21ClN4O5S and a molecular weight of 452.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55532770
Molecular FormulaC19H21ClN4O5S
Molecular Weight452.92 g/mol
Exact Mass452.09
IUPAC Name4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)ccc1Cl
InChIInChI=1S/C19H21ClN4O5S/c1-24(29-2)30(27,28)17-11-12(3-10-16(17)20)18(25)21-13-4-6-14(7-5-13)22-19(26)23-15-8-9-15/h3-7,10-11,15H,8-9H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyVXTOCQVOBJKKSP-UHFFFAOYSA-N
XLogP3.06
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
4-chloro-N-(4-cyclopentylsulfanylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46600086
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 30900607
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55532770) is 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is VXTOCQVOBJKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5S/c1-24(29-2)30(27,28)17-11-12(3-10-16(17)20)18(25)21-13-4-6-14(7-5-13)22-19(26)23-15-8-9-15/h3-7,10-11,15H,8-9H2,1-2H3,(H,21,25)(H2,22,23,26).
What are the key properties of 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 452.92 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55532770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).