6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide

C21H19N3O4S — CID 53119974

IUPAC6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C21H19N3O4S/c25-21(23-16-7-8-16)15-6-13-20(22-14-15)28-18-11-9-17(10-12-18)24-29(26,27)19-4-2-1-3-5-19/h1-6,9-14,16,24H,7-8H2,(H,23,25)
InChIKeyAWQBJQXIYDWLGY-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.57
Rot. Bonds7

About 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide

6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 53119974) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
PubChem CID53119974
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C21H19N3O4S/c25-21(23-16-7-8-16)15-6-13-20(22-14-15)28-18-11-9-17(10-12-18)24-29(26,27)19-4-2-1-3-5-19/h1-6,9-14,16,24H,7-8H2,(H,23,25)
InChIKeyAWQBJQXIYDWLGY-UHFFFAOYSA-N
XLogP3.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120065
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide (CID 53119974) is 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is AWQBJQXIYDWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c25-21(23-16-7-8-16)15-6-13-20(22-14-15)28-18-11-9-17(10-12-18)24-29(26,27)19-4-2-1-3-5-19/h1-6,9-14,16,24H,7-8H2,(H,23,25).
What are the key properties of 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide?
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 53119974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).