N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide

C19H22N2O3S — CID 17467750

IUPACN-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-5-3-4-6-18(13)21-25(23,24)17-11-9-16(10-12-17)19(22)20-14(2)15-7-8-15/h3-6,9-12,14-15,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyRVZKSKMHRVYIGZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.32
Rot. Bonds6

About N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide

N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 17467750) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID17467750
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-5-3-4-6-18(13)21-25(23,24)17-11-9-16(10-12-17)19(22)20-14(2)15-7-8-15/h3-6,9-12,14-15,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyRVZKSKMHRVYIGZ-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 17467750) is N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RVZKSKMHRVYIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-5-3-4-6-18(13)21-25(23,24)17-11-9-16(10-12-17)19(22)20-14(2)15-7-8-15/h3-6,9-12,14-15,21H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 17467750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).