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

C10H14ClNO4S — CID 50876549

IUPAC4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(C)O)ccc1Cl
InChIInChI=1S/C10H14ClNO4S/c1-7(13)6-12-17(14,15)8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeyBVRIIFJPRWUOBR-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.01
Rot. Bonds5

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

4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide (PubChem CID 50876549) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
PubChem CID50876549
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(C)O)ccc1Cl
InChIInChI=1S/C10H14ClNO4S/c1-7(13)6-12-17(14,15)8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeyBVRIIFJPRWUOBR-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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

3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-[(2S)-2-hydroxypropyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 83030727
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide (CID 50876549) is 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCC(C)O)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The InChIKey is BVRIIFJPRWUOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-7(13)6-12-17(14,15)8-3-4-9(11)10(5-8)16-2/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide?
4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 50876549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).