5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide

C11H16ClNO4S — CID 110287793

IUPAC5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)O
InChIInChI=1S/C11H16ClNO4S/c1-11(2,14)7-13-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,13-14H,7H2,1-3H3
InChIKeyVXAAPROKTKXEFX-UHFFFAOYSA-N
MW293.77 g/mol
LogP1.40
Rot. Bonds5

About 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide

5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide (PubChem CID 110287793) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
PubChem CID110287793
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)O
InChIInChI=1S/C11H16ClNO4S/c1-11(2,14)7-13-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,13-14H,7H2,1-3H3
InChIKeyVXAAPROKTKXEFX-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
CID 70601990
CID 70601990
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide (CID 110287793) is 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)O.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide?
The InChIKey is VXAAPROKTKXEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-11(2,14)7-13-18(15,16)10-6-8(12)4-5-9(10)17-3/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).