4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

C13H20ClNO3S — CID 103844707

IUPAC4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-3-13(4-2,10-16)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyCPMAQMVFMGQROK-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.42
Rot. Bonds7

About 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide (PubChem CID 103844707) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
PubChem CID103844707
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-3-13(4-2,10-16)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyCPMAQMVFMGQROK-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide
CID 98157755
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
3,5-dichloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256201
4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
CID 110291567
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide (CID 103844707) is 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The InChIKey is CPMAQMVFMGQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-3-13(4-2,10-16)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide is sourced from PubChem (CID 103844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).