4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide

C12H17BrClNO3S — CID 65110641

IUPAC4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO3S/c1-3-12(16,4-2)8-15-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,15-16H,3-4,8H2,1-2H3
InChIKeyOHWXHFCPTGURLF-UHFFFAOYSA-N
MW370.70 g/mol
LogP2.93
Rot. Bonds6

About 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide (PubChem CID 65110641) has the molecular formula C12H17BrClNO3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
PubChem CID65110641
Molecular FormulaC12H17BrClNO3S
Molecular Weight370.70 g/mol
Exact Mass368.98
IUPAC Name4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO3S/c1-3-12(16,4-2)8-15-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,15-16H,3-4,8H2,1-2H3
InChIKeyOHWXHFCPTGURLF-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
3-[(4-bromo-2-chloroanilino)methyl]pentan-3-ol
CID 114492781
4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80524040
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289599
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide (CID 65110641) is 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The InChIKey is OHWXHFCPTGURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO3S/c1-3-12(16,4-2)8-15-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,15-16H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide has a molecular weight of 370.70 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 65110641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).