N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide

C12H17Cl2NO3S — CID 61448011

IUPACN-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-2-3-4-15(5-6-16)19(17,18)12-8-10(13)7-11(14)9-12/h7-9,16H,2-6H2,1H3
InChIKeyTZIOLBRHXIJTOT-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.78
Rot. Bonds7

About N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide

N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61448011) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61448011
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC NameN-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-2-3-4-15(5-6-16)19(17,18)12-8-10(13)7-11(14)9-12/h7-9,16H,2-6H2,1H3
InChIKeyTZIOLBRHXIJTOT-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
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-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 80672478
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
CID 60958525
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 61448011) is N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is TZIOLBRHXIJTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-2-3-4-15(5-6-16)19(17,18)12-8-10(13)7-11(14)9-12/h7-9,16H,2-6H2,1H3.
What are the key properties of N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide?
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 326.25 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61448011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).