2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide

C14H20F2N2O3S — CID 97310141

IUPAC2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOC[C@@H]2C)c(F)cc1F
InChIInChI=1S/C14H20F2N2O3S/c1-10-7-14(13(16)8-12(10)15)22(19,20)17-3-4-18-5-6-21-9-11(18)2/h7-8,11,17H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyKRBCXZTZRKYHFA-NSHDSACASA-N
MW334.39 g/mol
LogP1.27
Rot. Bonds5

About 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide

2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide (PubChem CID 97310141) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide
PubChem CID97310141
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOC[C@@H]2C)c(F)cc1F
InChIInChI=1S/C14H20F2N2O3S/c1-10-7-14(13(16)8-12(10)15)22(19,20)17-3-4-18-5-6-21-9-11(18)2/h7-8,11,17H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyKRBCXZTZRKYHFA-NSHDSACASA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541688
2-bromo-N-[2-(3-methylmorpholin-4-yl)ethyl]aniline
CID 62561525
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
N-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60840871
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide (CID 97310141) is 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOC[C@@H]2C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is KRBCXZTZRKYHFA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-10-7-14(13(16)8-12(10)15)22(19,20)17-3-4-18-5-6-21-9-11(18)2/h7-8,11,17H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide?
2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 334.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 97310141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).