2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

C15H22ClFN2O3S — CID 136523526

IUPAC2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H22ClFN2O3S/c1-11(2)9-19-5-6-22-13(10-19)8-18-23(20,21)15-7-12(17)3-4-14(15)16/h3-4,7,11,13,18H,5-6,8-10H2,1-2H3
InChIKeySCBQOBXKPXMAHM-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.11
Rot. Bonds6

About 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 136523526) has the molecular formula C15H22ClFN2O3S and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
PubChem CID136523526
Molecular FormulaC15H22ClFN2O3S
Molecular Weight364.87 g/mol
Exact Mass364.10
IUPAC Name2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H22ClFN2O3S/c1-11(2)9-19-5-6-22-13(10-19)8-18-23(20,21)15-7-12(17)3-4-14(15)16/h3-4,7,11,13,18H,5-6,8-10H2,1-2H3
InChIKeySCBQOBXKPXMAHM-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642349
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
CID 55989548
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (CID 136523526) is 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is CC(C)CN1CCOC(CNS(=O)(=O)c2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is SCBQOBXKPXMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O3S/c1-11(2)9-19-5-6-22-13(10-19)8-18-23(20,21)15-7-12(17)3-4-14(15)16/h3-4,7,11,13,18H,5-6,8-10H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 364.87 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 136523526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).