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

C14H21FN2O3S — CID 3243079

IUPAC4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F
InChIInChI=1S/C14H21FN2O3S/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
InChIKeyYRKSRWKDHBICGG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.13
Rot. Bonds6

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

4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 3243079) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID3243079
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F
InChIInChI=1S/C14H21FN2O3S/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
InChIKeyYRKSRWKDHBICGG-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.13
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

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 44526974
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2178782
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
HEA derivative, 7d
CID 57340059
4-bromo-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 16245802

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 3243079) is 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is YRKSRWKDHBICGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/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-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3243079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).