N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide

C13H21NO3S — CID 43507359

IUPACN-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-5-10-14(3)18(16,17)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyYURSOEGSRUEEPP-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.16
Rot. Bonds6

About N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide

N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 43507359) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID43507359
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-5-10-14(3)18(16,17)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyYURSOEGSRUEEPP-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
methyl 2-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]acetate
CID 43507226
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide (CID 43507359) is N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is YURSOEGSRUEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-5-10-14(3)18(16,17)13-8-6-12(7-9-13)11(2)15/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43507359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).