N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide

C14H24N2O3S — CID 106144652

IUPACN-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)(C)CCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16-20(18,19)13-7-5-12(6-8-13)15-11-14(2,3)9-10-17/h5-8,15-17H,4,9-11H2,1-3H3
InChIKeyBSHIJIOPZCVBMB-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.81
Rot. Bonds8

About N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide

N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide (PubChem CID 106144652) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
PubChem CID106144652
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)(C)CCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16-20(18,19)13-7-5-12(6-8-13)15-11-14(2,3)9-10-17/h5-8,15-17H,4,9-11H2,1-3H3
InChIKeyBSHIJIOPZCVBMB-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzenesulfonamide
CID 106171712
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
CID 106145672
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
1-[4-[(4-hydroxy-2,2-dimethylbutyl)amino]phenyl]propan-1-one
CID 114150228
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide (CID 106144652) is N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(C)(C)CCO)cc1.
What is the InChIKey of N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide?
The InChIKey is BSHIJIOPZCVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-16-20(18,19)13-7-5-12(6-8-13)15-11-14(2,3)9-10-17/h5-8,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide?
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 106144652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).