3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide

C10H14ClNO3S — CID 79585459

IUPAC3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3
InChIKeyXGEQUNBKOJTLSI-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.01
Rot. Bonds5

About 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 79585459) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID79585459
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3
InChIKeyXGEQUNBKOJTLSI-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 82861104
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide (CID 79585459) is 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is XGEQUNBKOJTLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3.
What are the key properties of 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).