4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H23ClN2O3S — CID 2235573

IUPAC4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-12-11-15(13(2)10-14(12)16)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyJKNNPLGRPYUOCT-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.96
Rot. Bonds6

About 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2235573) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2235573
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-12-11-15(13(2)10-14(12)16)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyJKNNPLGRPYUOCT-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.96
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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Related Compounds

2,4-Dichloro-3-methyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 2920213
2,4-dichloro-5-methyl-N-(3-morpholinopropyl)benzenesulfonamide
CID 3126386
4-chloro-2,5-dimethyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide
CID 56908479
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747984
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
4-{1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]piperidin-3-yl}morpholine
CID 23724042
1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]-4-ethylpiperazine
CID 6465434
4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide
CID 23799088
1-(4-Chloro-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 971270
2,4-dichloro-5-methyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 1167276
4,5-dichloro-2-methyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 16044496
4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 126456709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2235573) is 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2CCOCC2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is JKNNPLGRPYUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12-11-15(13(2)10-14(12)16)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2235573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).