4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide

C10H14ClNO3S — CID 39363651

IUPAC4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCO)ccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-8-7-9(3-4-10(8)11)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyYCNIEAYCXABYKR-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.26
Rot. Bonds4

About 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide

4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 39363651) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
PubChem CID39363651
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCO)ccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-8-7-9(3-4-10(8)11)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyYCNIEAYCXABYKR-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 7470552
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355
4-hydroxy-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 60961659
2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435612
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide (CID 39363651) is 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCO)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is YCNIEAYCXABYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-8-7-9(3-4-10(8)11)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide?
4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 39363651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).