N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C19H17ClFN5O4S — CID 24819914

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H17ClFN5O4S/c20-13-1-4-18(26-12-22-11-23-26)17(9-13)24-19(27)15-10-14(2-3-16(15)21)31(28,29)25-5-7-30-8-6-25/h1-4,9-12H,5-8H2,(H,24,27)
InChIKeyDMGRJBIOUWTOHY-UHFFFAOYSA-N
MW465.89 g/mol
LogP2.33
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 24819914) has the molecular formula C19H17ClFN5O4S and a molecular weight of 465.89 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID24819914
Molecular FormulaC19H17ClFN5O4S
Molecular Weight465.89 g/mol
Exact Mass465.07
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H17ClFN5O4S/c20-13-1-4-18(26-12-22-11-23-26)17(9-13)24-19(27)15-10-14(2-3-16(15)21)31(28,29)25-5-7-30-8-6-25/h1-4,9-12H,5-8H2,(H,24,27)
InChIKeyDMGRJBIOUWTOHY-UHFFFAOYSA-N
XLogP2.33
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
CID 55337182
2-fluoro-5-morpholin-4-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732332
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 4658421
1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-phenylthiourea
CID 3306307
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30806019
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 24819914) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DMGRJBIOUWTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O4S/c20-13-1-4-18(26-12-22-11-23-26)17(9-13)24-19(27)15-10-14(2-3-16(15)21)31(28,29)25-5-7-30-8-6-25/h1-4,9-12H,5-8H2,(H,24,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 465.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24819914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).