N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide

C9H12ClNO3S — CID 43114648

IUPACN-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H12ClNO3S/c1-2-5-15(13,14)11-8-6-7(10)3-4-9(8)12/h3-4,6,11-12H,2,5H2,1H3
InChIKeySEDPKIBYLVPGRO-UHFFFAOYSA-N
MW249.72 g/mol
LogP2.20
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide

N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide (PubChem CID 43114648) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
PubChem CID43114648
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H12ClNO3S/c1-2-5-15(13,14)11-8-6-7(10)3-4-9(8)12/h3-4,6,11-12H,2,5H2,1H3
InChIKeySEDPKIBYLVPGRO-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 52.20
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

N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
4-chloro-2-propylsulfonylphenol
CID 71443861
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
4-chloro-2-(ethylamino)phenol
CID 15847212

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide (CID 43114648) is N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide?
The InChIKey is SEDPKIBYLVPGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-2-5-15(13,14)11-8-6-7(10)3-4-9(8)12/h3-4,6,11-12H,2,5H2,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43114648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).