2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C18H18ClFN2O4S — CID 26759942

IUPAC2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O4S/c1-12-2-4-14(21-18(23)15-5-3-13(20)10-16(15)19)11-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyITEPNTWXIVEBMZ-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.06
Rot. Bonds4

About 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 26759942) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID26759942
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O4S/c1-12-2-4-14(21-18(23)15-5-3-13(20)10-16(15)19)11-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyITEPNTWXIVEBMZ-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 55631550
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55752769
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 26759942) is 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is ITEPNTWXIVEBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c1-12-2-4-14(21-18(23)15-5-3-13(20)10-16(15)19)11-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23).
What are the key properties of 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 412.87 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26759942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).