4-chloro-N-(3-hydroxypropyl)benzenesulfonamide

C9H12ClNO3S — CID 5127490

IUPAC4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3S/c10-8-2-4-9(5-3-8)15(13,14)11-6-1-7-12/h2-5,11-12H,1,6-7H2
InChIKeySFNWQAGHHQKOEG-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.00
Rot. Bonds5

About 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide

4-chloro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 5127490) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID5127490
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3S/c10-8-2-4-9(5-3-8)15(13,14)11-6-1-7-12/h2-5,11-12H,1,6-7H2
InChIKeySFNWQAGHHQKOEG-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide (CID 5127490) is 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is SFNWQAGHHQKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c10-8-2-4-9(5-3-8)15(13,14)11-6-1-7-12/h2-5,11-12H,1,6-7H2.
What are the key properties of 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide?
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 5127490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).