4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide

C19H28N2O4S — CID 4156772

IUPAC4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-15-2-8-18(9-3-15)26(23,24)20-14-16-4-6-17(7-5-16)19(22)21-10-12-25-13-11-21/h2-3,8-9,16-17,20H,4-7,10-14H2,1H3
InChIKeyMLHZECPTGHCWNK-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide

4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 4156772) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID4156772
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-15-2-8-18(9-3-15)26(23,24)20-14-16-4-6-17(7-5-16)19(22)21-10-12-25-13-11-21/h2-3,8-9,16-17,20H,4-7,10-14H2,1H3
InChIKeyMLHZECPTGHCWNK-UHFFFAOYSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide (CID 4156772) is 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is MLHZECPTGHCWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-2-8-18(9-3-15)26(23,24)20-14-16-4-6-17(7-5-16)19(22)21-10-12-25-13-11-21/h2-3,8-9,16-17,20H,4-7,10-14H2,1H3.
What are the key properties of 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide?
4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 4156772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).