N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

C21H24N2O4S — CID 10237663

IUPACN-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOCCn1cccc1C(O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-22(28(25,26)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(24)20-9-6-14-23(20)15-16-27-2/h3-14,21,24H,15-16H2,1-2H3
InChIKeyMWYCAZQWTYWZRE-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.04
Rot. Bonds8

About N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide

N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 10237663) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID10237663
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide
SMILESCOCCn1cccc1C(O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-22(28(25,26)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(24)20-9-6-14-23(20)15-16-27-2/h3-14,21,24H,15-16H2,1-2H3
InChIKeyMWYCAZQWTYWZRE-UHFFFAOYSA-N
XLogP3.04
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-{1-[1-(2-Ethoxyethyl)-1H-pyrrol-2-yl]-2,2,2-trifluoro-1-hydroxyethyl}-phenyl)-N-methyl-benzenesulfonamide
CID 21943462
N-(4-{1-[1-(2-Methoxyethyl)-1H-pyrrol-2-yl]-2,2,2-trifluoro-1-methoxyethyl}-phenyl)-N-methyl-benzenesulfonamide
CID 22042635
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 44335497
N-Methyl-N-(4-{(1s)-2,2,2-Trifluoro-1-Hydroxy-1-[1-(2-Methoxyethyl)-1h-Pyrrol-2-Yl]ethyl}phenyl)benzenesulfonamide
CID 56844264
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-isopropyl-benzenesulfonamide
CID 44335499
N-[4-[1-(1-benzylpyrrol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-N-methylbenzenesulfonamide
CID 57404459
N-(4-{1-[1-(2-Methoxyethyl)-1H-pyrrol-2-yl]-2,2,2-trifluoro-1-hydroxyethyl}-phenyl)-N-methyl-benzenesulfonamide
CID 22042567
[2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 154963858
[1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol
CID 5096348
N-(4-{1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]-ethyl}-phenyl)-N-methyl-benzenesulfonamide
CID 9909725
N-(4-{1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]-butyl}-phenyl)-N-methyl-benzenesulfonamide
CID 10173622
N-(4-{1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]-methyl}-phenyl)-N-methyl-benzenesulfonamide
CID 10215928

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide (CID 10237663) is N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is COCCn1cccc1C(O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is MWYCAZQWTYWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22(28(25,26)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(24)20-9-6-14-23(20)15-16-27-2/h3-14,21,24H,15-16H2,1-2H3.
What are the key properties of N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy-[1-(2-methoxyethyl)pyrrol-2-yl]methyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 10237663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).