N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide

C18H20N2O3S — CID 833609

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C18H20N2O3S/c1-12-3-6-16(11-13(12)2)20-24(22,23)17-9-7-15(8-10-17)19-18(21)14-4-5-14/h3,6-11,14,20H,4-5H2,1-2H3,(H,19,21)
InChIKeyONZDEIRUGOHYSG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 833609) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
PubChem CID833609
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C
InChIInChI=1S/C18H20N2O3S/c1-12-3-6-16(11-13(12)2)20-24(22,23)17-9-7-15(8-10-17)19-18(21)14-4-5-14/h3,6-11,14,20H,4-5H2,1-2H3,(H,19,21)
InChIKeyONZDEIRUGOHYSG-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
4-(Valproylamido)Benzenesulfonamide
CID 10266719
N4-Acetyl-N1-(1-naphthyl)sulfanilamide
CID 306209
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
(2s)-2-Tert-Butyl-N-(4-Sulfamoylphenyl)pentanamide
CID 53308637
N-[4-[methyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 974694
N-[4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]acetamide
CID 2823461

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide (CID 833609) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ONZDEIRUGOHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-3-6-16(11-13(12)2)20-24(22,23)17-9-7-15(8-10-17)19-18(21)14-4-5-14/h3,6-11,14,20H,4-5H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 833609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).