2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide

C21H20BrN3O4S — CID 53120166

IUPAC2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O4S/c1-14(2)24-20(26)19-4-3-13-23-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h3-14,25H,1-2H3,(H,24,26)
InChIKeyGTRBYVXCXDLNJX-UHFFFAOYSA-N
MW490.38 g/mol
LogP4.58
Rot. Bonds7

About 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide

2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 53120166) has the molecular formula C21H20BrN3O4S and a molecular weight of 490.38 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID53120166
Molecular FormulaC21H20BrN3O4S
Molecular Weight490.38 g/mol
Exact Mass489.04
IUPAC Name2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O4S/c1-14(2)24-20(26)19-4-3-13-23-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h3-14,25H,1-2H3,(H,24,26)
InChIKeyGTRBYVXCXDLNJX-UHFFFAOYSA-N
XLogP4.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120239
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089271
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 53120166) is 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GTRBYVXCXDLNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4S/c1-14(2)24-20(26)19-4-3-13-23-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h3-14,25H,1-2H3,(H,24,26).
What are the key properties of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 490.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 53120166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).