N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide

C10H14ClNO3S — CID 81433625

IUPACN-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C10H14ClNO3S/c1-10(2,3)16(14,15)12-8-6-4-5-7(11)9(8)13/h4-6,12-13H,1-3H3
InChIKeyDNMFVOUGHKLONZ-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.59
Rot. Bonds2

About N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide

N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide (PubChem CID 81433625) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
PubChem CID81433625
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C10H14ClNO3S/c1-10(2,3)16(14,15)12-8-6-4-5-7(11)9(8)13/h4-6,12-13H,1-3H3
InChIKeyDNMFVOUGHKLONZ-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
CID 114815567
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide
CID 81422182
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-(3-chloro-2-hydroxyphenyl)butane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)octane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)propane-2-sulfonamide
CID 158915765

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide (CID 81433625) is N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is DNMFVOUGHKLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-10(2,3)16(14,15)12-8-6-4-5-7(11)9(8)13/h4-6,12-13H,1-3H3.
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide?
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 81433625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).