N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide

C19H26N2O5S2 — CID 55559864

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H26N2O5S2/c1-14(2)5-6-15-7-10-17(11-8-15)28(24,25)20-16-9-12-19(26-3)18(13-16)21-27(4,22)23/h7-14,20-21H,5-6H2,1-4H3
InChIKeyADOHJLVBFMHILG-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.46
Rot. Bonds9

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide (PubChem CID 55559864) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
PubChem CID55559864
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H26N2O5S2/c1-14(2)5-6-15-7-10-17(11-8-15)28(24,25)20-16-9-12-19(26-3)18(13-16)21-27(4,22)23/h7-14,20-21H,5-6H2,1-4H3
InChIKeyADOHJLVBFMHILG-UHFFFAOYSA-N
XLogP3.46
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 30953534
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 3374845

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide (CID 55559864) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide?
The InChIKey is ADOHJLVBFMHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-14(2)5-6-15-7-10-17(11-8-15)28(24,25)20-16-9-12-19(26-3)18(13-16)21-27(4,22)23/h7-14,20-21H,5-6H2,1-4H3.
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 55559864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).