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

C9H12BrClN2O2S — CID 63733223

IUPACN-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H12BrClN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyYDSUBALIZDRWCX-UHFFFAOYSA-N
MW327.63 g/mol
LogP1.73
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 63733223) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID63733223
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC NameN-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H12BrClN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyYDSUBALIZDRWCX-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide (CID 63733223) is N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide is CC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is YDSUBALIZDRWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 327.63 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 63733223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).