4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 62151171

IUPAC4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-17-14-7-11-16(12-8-14)21(19,20)18(3)15-9-5-13(2)6-10-15/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3
InChIKeyKXNLKKOEGKXVJX-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.32
Rot. Bonds5

About 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 62151171) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID62151171
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-17-14-7-11-16(12-8-14)21(19,20)18(3)15-9-5-13(2)6-10-15/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3
InChIKeyKXNLKKOEGKXVJX-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 61435229
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 64522429
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 62145160
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
CID 62158476
N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 71997918
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea
CID 9453496
N-cycloheptyl-6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62145787

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 62151171) is 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is KXNLKKOEGKXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-17-14-7-11-16(12-8-14)21(19,20)18(3)15-9-5-13(2)6-10-15/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 62151171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).