4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide

C10H14ClNO4S — CID 43501480

IUPAC4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H14ClNO4S/c1-16-9-7-8(11)3-4-10(9)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyCESUHVSFRDTYIM-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.01
Rot. Bonds6

About 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide

4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide (PubChem CID 43501480) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
PubChem CID43501480
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H14ClNO4S/c1-16-9-7-8(11)3-4-10(9)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyCESUHVSFRDTYIM-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
ethyl 4-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanoate
CID 60716385
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide (CID 43501480) is 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NCCCO.
What is the InChIKey of 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The InChIKey is CESUHVSFRDTYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-16-9-7-8(11)3-4-10(9)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43501480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).