4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H21ClN2O3S — CID 3126387

IUPAC4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-12-11-13(3-4-14(12)15)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyXDDMCZBIISTSDP-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.65
Rot. Bonds6

About 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 3126387) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID3126387
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-12-11-13(3-4-14(12)15)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyXDDMCZBIISTSDP-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 3126387) is 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is XDDMCZBIISTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-12-11-13(3-4-14(12)15)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3126387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).