N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide

C18H22N2O6S2 — CID 648711

IUPACN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O6S2/c1-25-18-8-3-2-5-15(18)14-19-27(21,22)16-6-4-7-17(13-16)28(23,24)20-9-11-26-12-10-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyKRRCGGQWTTZEGQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.19
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide

N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 648711) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID648711
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O6S2/c1-25-18-8-3-2-5-15(18)14-19-27(21,22)16-6-4-7-17(13-16)28(23,24)20-9-11-26-12-10-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyKRRCGGQWTTZEGQ-UHFFFAOYSA-N
XLogP1.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulfonamide (I-3)
CID 25059531
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
N-(2,5-dimethoxybenzyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 665777
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
N-Benzyl-4-(2-morpholin-4-yl-2-oxo-ethoxy)-benzenesulfonamide
CID 1088524
7-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 3232725
(5S)-7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 3233654
3-(Benzenesulfonyl)-9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 3234428
9-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3234652
(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6249170
4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 9204201
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide (CID 648711) is N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is KRRCGGQWTTZEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-25-18-8-3-2-5-15(18)14-19-27(21,22)16-6-4-7-17(13-16)28(23,24)20-9-11-26-12-10-20/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 426.52 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 648711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).