N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide

C18H20N2O3S — CID 68582129

IUPACN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccccc2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-18(2)15(12-8-10-14(11-9-12)24(19,22)23)16(18)20-17(21)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyYSYMOWHDSGVCCF-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.26
Rot. Bonds4

About N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide

N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide (PubChem CID 68582129) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
PubChem CID68582129
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccccc2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-18(2)15(12-8-10-14(11-9-12)24(19,22)23)16(18)20-17(21)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyYSYMOWHDSGVCCF-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The IUPAC name of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide (CID 68582129) is N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide is CC1(C)C(NC(=O)c2ccccc2)C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The InChIKey is YSYMOWHDSGVCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-18(2)15(12-8-10-14(11-9-12)24(19,22)23)16(18)20-17(21)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 68582129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).