2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide

C22H25ClFN3O5S — CID 55574910

IUPAC2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C22H25ClFN3O5S/c23-19-12-15(24)3-5-18(19)22(28)26-21-13-17(33(29,30)27-7-10-31-11-8-27)4-6-20(21)25-14-16-2-1-9-32-16/h3-6,12-13,16,25H,1-2,7-11,14H2,(H,26,28)
InChIKeyCLVRDNUTILCBBS-UHFFFAOYSA-N
MW497.98 g/mol
LogP3.34
Rot. Bonds7

About 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide

2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide (PubChem CID 55574910) has the molecular formula C22H25ClFN3O5S and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
PubChem CID55574910
Molecular FormulaC22H25ClFN3O5S
Molecular Weight497.98 g/mol
Exact Mass497.12
IUPAC Name2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C22H25ClFN3O5S/c23-19-12-15(24)3-5-18(19)22(28)26-21-13-17(33(29,30)27-7-10-31-11-8-27)4-6-20(21)25-14-16-2-1-9-32-16/h3-6,12-13,16,25H,1-2,7-11,14H2,(H,26,28)
InChIKeyCLVRDNUTILCBBS-UHFFFAOYSA-N
XLogP3.34
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
4-morpholin-4-ylsulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 9187073
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
CID 25347481
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide (CID 55574910) is 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide?
The InChIKey is CLVRDNUTILCBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O5S/c23-19-12-15(24)3-5-18(19)22(28)26-21-13-17(33(29,30)27-7-10-31-11-8-27)4-6-20(21)25-14-16-2-1-9-32-16/h3-6,12-13,16,25H,1-2,7-11,14H2,(H,26,28).
What are the key properties of 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide?
2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide has a molecular weight of 497.98 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 55574910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).