N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide

C10H14ClNO3S — CID 64788344

IUPACN-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-10-5-4-8(13)7-9(10)11/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyUNTHLVYYEOOLEI-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.59
Rot. Bonds5

About N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide

N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide (PubChem CID 64788344) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
PubChem CID64788344
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-10-5-4-8(13)7-9(10)11/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyUNTHLVYYEOOLEI-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(2-chloro-4-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 64786790
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide
CID 15982143
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide (CID 64788344) is N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide?
The InChIKey is UNTHLVYYEOOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-10-5-4-8(13)7-9(10)11/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide?
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.59, 5 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)butane-1-sulfonamide is sourced from PubChem (CID 64788344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).