N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide

C24H24N2O4S — CID 90924177

IUPACN-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide
SMILESCON(c1ccccc1)S(=O)(=O)c1cc2c(c(NC(=O)c3ccccc3)c1)CCCC2
InChIInChI=1S/C24H24N2O4S/c1-30-26(20-13-6-3-7-14-20)31(28,29)21-16-19-12-8-9-15-22(19)23(17-21)25-24(27)18-10-4-2-5-11-18/h2-7,10-11,13-14,16-17H,8-9,12,15H2,1H3,(H,25,27)
InChIKeyMWRSFSNLMJRKQW-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.57
Rot. Bonds6

About N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide

N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 90924177) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide
PubChem CID90924177
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide
SMILESCON(c1ccccc1)S(=O)(=O)c1cc2c(c(NC(=O)c3ccccc3)c1)CCCC2
InChIInChI=1S/C24H24N2O4S/c1-30-26(20-13-6-3-7-14-20)31(28,29)21-16-19-12-8-9-15-22(19)23(17-21)25-24(27)18-10-4-2-5-11-18/h2-7,10-11,13-14,16-17H,8-9,12,15H2,1H3,(H,25,27)
InChIKeyMWRSFSNLMJRKQW-UHFFFAOYSA-N
XLogP4.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
CID 91106510
N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
3-(dimethylsulfamoyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18166162
2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
CID 57476934
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102

Frequently Asked Questions

What is the IUPAC name of N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide (CID 90924177) is N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide is CON(c1ccccc1)S(=O)(=O)c1cc2c(c(NC(=O)c3ccccc3)c1)CCCC2.
What is the InChIKey of N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is MWRSFSNLMJRKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-26(20-13-6-3-7-14-20)31(28,29)21-16-19-12-8-9-15-22(19)23(17-21)25-24(27)18-10-4-2-5-11-18/h2-7,10-11,13-14,16-17H,8-9,12,15H2,1H3,(H,25,27).
What are the key properties of N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide?
N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 90924177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).