N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide

C16H24N2O3S — CID 2812913

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-12-9-10-14(22(20,21)18(2)3)11-15(12)17-16(19)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19)
InChIKeyDRLPUPYMGRMQOX-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.76
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide (PubChem CID 2812913) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide
PubChem CID2812913
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-12-9-10-14(22(20,21)18(2)3)11-15(12)17-16(19)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19)
InChIKeyDRLPUPYMGRMQOX-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide (CID 2812913) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide?
The InChIKey is DRLPUPYMGRMQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-9-10-14(22(20,21)18(2)3)11-15(12)17-16(19)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 2812913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).