N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 61448379

IUPACN-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-10-16(11-12-17)20(18,19)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyRRNKSHSSSUGDMK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.59
Rot. Bonds8

About N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide

N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 61448379) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID61448379
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-10-16(11-12-17)20(18,19)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyRRNKSHSSSUGDMK-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447802
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
N-butyl-N-(2-hydroxyethyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61447827
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-propan-2-ylbenzenesulfonamide
CID 71583832
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide (CID 61448379) is N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RRNKSHSSSUGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-10-16(11-12-17)20(18,19)15-8-6-14(7-9-15)13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide?
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61448379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).