2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H15BrCl2N2O2S — CID 120825163

IUPAC2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C10H14BrClN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-5-8(12)3-4-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyRLNYMOKHYCJJAJ-UHFFFAOYSA-N
MW378.12 g/mol
LogP2.41
Rot. Bonds5

About 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120825163) has the molecular formula C10H15BrCl2N2O2S and a molecular weight of 378.12 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120825163
Molecular FormulaC10H15BrCl2N2O2S
Molecular Weight378.12 g/mol
Exact Mass375.94
IUPAC Name2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C10H14BrClN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-5-8(12)3-4-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyRLNYMOKHYCJJAJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.12
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
CID 120825013
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120825163) is 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(Cl)ccc1Br.Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is RLNYMOKHYCJJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-5-8(12)3-4-9(10)11;/h3-5,7,13-14H,6H2,1-2H3;1H.
What are the key properties of 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 378.12 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120825163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).