2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide

C24H23N5O5S — CID 1275933

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(N)=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N5O5S/c1-16-6-8-23(21(14-16)29-26-19-4-2-3-5-20(19)27-29)34-22-9-7-17(15-18(22)24(25)30)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H2,25,30)
InChIKeyOOAZYHNNJUMKFV-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1275933) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1275933
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(N)=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N5O5S/c1-16-6-8-23(21(14-16)29-26-19-4-2-3-5-20(19)27-29)34-22-9-7-17(15-18(22)24(25)30)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H2,25,30)
InChIKeyOOAZYHNNJUMKFV-UHFFFAOYSA-N
XLogP2.64
TPSA129.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3-[(dimethylamino)sulfonyl]benzoate
CID 1217157
3-(Pyrrolidine-1-sulfonyl)-benzoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
CID 1107147
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-[(dimethylamino)sulfonyl]benzoate
CID 1262701
2-(2-Hydrobenzotriazol-2-yl)-4-methylphenyl 3-(morpholin-4-ylsulfonyl)benzoate
CID 3112602
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-methylpiperidin-1-yl)sulfonyl]benzoate
CID 1036870
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-(azepan-1-ylsulfonyl)benzoate
CID 1107148
[2-(Benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate
CID 1040699
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-methoxy-3-(morpholin-4-ylsulfonyl)benzoate
CID 1040987
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-(piperidin-1-ylsulfonyl)benzoate
CID 1102151
2-(2H-1,2,3-Benzotriazol-2-YL)-4-methylphenyl 4-methyl-3-(morpholine-4-sulfonyl)benzoate
CID 1127079
2-(2H-1,2,3-Benzotriazol-2-YL)-4-methylphenyl 3-(diethylsulfamoyl)benzoate
CID 3660829
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(morpholin-4-ylsulfonyl)benzoate
CID 3667845

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide (CID 1275933) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(N)=O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OOAZYHNNJUMKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-16-6-8-23(21(14-16)29-26-19-4-2-3-5-20(19)27-29)34-22-9-7-17(15-18(22)24(25)30)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H2,25,30).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 493.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1275933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).