N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide

C22H30N2O6S2 — CID 30953534

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H30N2O6S2/c1-17(2)4-5-18-6-9-20(10-7-18)31(25,26)23-19-8-11-21(29-3)22(16-19)32(27,28)24-12-14-30-15-13-24/h6-11,16-17,23H,4-5,12-15H2,1-3H3
InChIKeySGDMZNOHIINPSV-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.11
Rot. Bonds9

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide (PubChem CID 30953534) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
PubChem CID30953534
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H30N2O6S2/c1-17(2)4-5-18-6-9-20(10-7-18)31(25,26)23-19-8-11-21(29-3)22(16-19)32(27,28)24-12-14-30-15-13-24/h6-11,16-17,23H,4-5,12-15H2,1-3H3
InChIKeySGDMZNOHIINPSV-UHFFFAOYSA-N
XLogP3.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100539420
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
3-[4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4533150
3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 55559864
N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100501916
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100539406
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide (CID 30953534) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The InChIKey is SGDMZNOHIINPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-17(2)4-5-18-6-9-20(10-7-18)31(25,26)23-19-8-11-21(29-3)22(16-19)32(27,28)24-12-14-30-15-13-24/h6-11,16-17,23H,4-5,12-15H2,1-3H3.
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide has a molecular weight of 482.62 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 30953534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).