N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide

C11H16ClNO3S — CID 64786790

IUPACN-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-11(2,3)7-17(15,16)13-10-5-4-8(14)6-9(10)12/h4-6,13-14H,7H2,1-3H3
InChIKeyKUSDQSGVOZOZRP-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.83
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide

N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64786790) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID64786790
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-11(2,3)7-17(15,16)13-10-5-4-8(14)6-9(10)12/h4-6,13-14H,7H2,1-3H3
InChIKeyKUSDQSGVOZOZRP-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
3-chloro-4-(2,2-dimethylpropylsulfonylamino)benzenecarbothioamide
CID 107808760
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 81281301
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 64788920
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 64786303

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide (CID 64786790) is N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is KUSDQSGVOZOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-11(2,3)7-17(15,16)13-10-5-4-8(14)6-9(10)12/h4-6,13-14H,7H2,1-3H3.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64786790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).