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

C11H16ClNO5S — CID 61233833

IUPAC4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H16ClNO5S/c1-18-10-8-9(12)2-3-11(10)19(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyXFMRGJGFWDMKKW-UHFFFAOYSA-N
MW309.77 g/mol
LogP0.32
Rot. Bonds7

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

4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide (PubChem CID 61233833) has the molecular formula C11H16ClNO5S and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
PubChem CID61233833
Molecular FormulaC11H16ClNO5S
Molecular Weight309.77 g/mol
Exact Mass309.04
IUPAC Name4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H16ClNO5S/c1-18-10-8-9(12)2-3-11(10)19(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyXFMRGJGFWDMKKW-UHFFFAOYSA-N
XLogP0.32
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N,N-bis(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
CID 61234361
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
4-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483806
5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879174
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
CID 115317679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide (CID 61233833) is 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The InChIKey is XFMRGJGFWDMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S/c1-18-10-8-9(12)2-3-11(10)19(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide?
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61233833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).