4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide

C12H18ClNO3S — CID 64557435

IUPAC4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClNO3S/c1-4-12(3,8-15)14-18(16,17)11-6-5-10(13)7-9(11)2/h5-7,14-15H,4,8H2,1-3H3
InChIKeyGFJADGNXBAXSNE-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.09
Rot. Bonds5

About 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide

4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 64557435) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
PubChem CID64557435
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClNO3S/c1-4-12(3,8-15)14-18(16,17)11-6-5-10(13)7-9(11)2/h5-7,14-15H,4,8H2,1-3H3
InChIKeyGFJADGNXBAXSNE-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 64551163
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 64557595
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
3-[(4-chloro-2-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 166288413
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-nitrobenzenesulfonamide
CID 64557047
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide (CID 64557435) is 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is GFJADGNXBAXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-4-12(3,8-15)14-18(16,17)11-6-5-10(13)7-9(11)2/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide?
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 64557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).