3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide

C12H17BrClNO3S — CID 106546170

IUPAC3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H17BrClNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyFZPTYAXCMWCPSQ-UHFFFAOYSA-N
MW370.70 g/mol
LogP2.89
Rot. Bonds7

About 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide

3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 106546170) has the molecular formula C12H17BrClNO3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID106546170
Molecular FormulaC12H17BrClNO3S
Molecular Weight370.70 g/mol
Exact Mass368.98
IUPAC Name3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H17BrClNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyFZPTYAXCMWCPSQ-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
CID 4577559
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 106546170) is 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FZPTYAXCMWCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 370.70 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 106546170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).