N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide

C10H14BrClN2O2S — CID 65193946

IUPACN-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-8(6-13)14-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,14H,2,6,13H2,1H3
InChIKeyILJVACMOFCGBSE-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.12
Rot. Bonds5

About N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide

N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 65193946) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID65193946
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC NameN-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-8(6-13)14-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,14H,2,6,13H2,1H3
InChIKeyILJVACMOFCGBSE-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide (CID 65193946) is N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide is CCC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is ILJVACMOFCGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-2-8(6-13)14-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,14H,2,6,13H2,1H3.
What are the key properties of N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 341.66 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 65193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).