4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide

C9H12ClNO4S — CID 43501996

IUPAC4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C9H12ClNO4S/c1-15-8-6-7(10)2-3-9(8)16(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyHNHAGKMAMDVTBO-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.62
Rot. Bonds5

About 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide

4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide (PubChem CID 43501996) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
PubChem CID43501996
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C9H12ClNO4S/c1-15-8-6-7(10)2-3-9(8)16(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyHNHAGKMAMDVTBO-UHFFFAOYSA-N
XLogP0.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
ethyl 4-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanoate
CID 60716385
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide (CID 43501996) is 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NCCO.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The InChIKey is HNHAGKMAMDVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S/c1-15-8-6-7(10)2-3-9(8)16(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.62, 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-hydroxyethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43501996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).