N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide

C20H27NO4S — CID 22711666

IUPACN-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CO)CC(C)C)cc1
InChIInChI=1S/C20H27NO4S/c1-16(2)13-18(15-22)21(14-17-7-5-4-6-8-17)26(23,24)20-11-9-19(25-3)10-12-20/h4-12,16,18,22H,13-15H2,1-3H3
InChIKeyYTQRASICQLEYFZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.29
Rot. Bonds9

About N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide

N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 22711666) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID22711666
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CO)CC(C)C)cc1
InChIInChI=1S/C20H27NO4S/c1-16(2)13-18(15-22)21(14-17-7-5-4-6-8-17)26(23,24)20-11-9-19(25-3)10-12-20/h4-12,16,18,22H,13-15H2,1-3H3
InChIKeyYTQRASICQLEYFZ-UHFFFAOYSA-N
XLogP3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 67531312
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(dimethylamino)-N-hydroxyhexanamide
CID 10742152

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide (CID 22711666) is N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CO)CC(C)C)cc1.
What is the InChIKey of N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is YTQRASICQLEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-16(2)13-18(15-22)21(14-17-7-5-4-6-8-17)26(23,24)20-11-9-19(25-3)10-12-20/h4-12,16,18,22H,13-15H2,1-3H3.
What are the key properties of N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide?
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 22711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).