5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride

C8H13BrCl2N2O2S2 — CID 120824863

IUPAC5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)sc1Cl.Cl
InChIInChI=1S/C8H12BrClN2O2S2.ClH/c1-5(11-2)4-12-16(13,14)6-3-7(9)15-8(6)10;/h3,5,11-12H,4H2,1-2H3;1H
InChIKeyQHCHWNDYBAORNX-UHFFFAOYSA-N
MW384.15 g/mol
LogP2.47
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride

5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 120824863) has the molecular formula C8H13BrCl2N2O2S2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID120824863
Molecular FormulaC8H13BrCl2N2O2S2
Molecular Weight384.15 g/mol
Exact Mass381.90
IUPAC Name5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)sc1Cl.Cl
InChIInChI=1S/C8H12BrClN2O2S2.ClH/c1-5(11-2)4-12-16(13,14)6-3-7(9)15-8(6)10;/h3,5,11-12H,4H2,1-2H3;1H
InChIKeyQHCHWNDYBAORNX-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride (CID 120824863) is 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(Br)sc1Cl.Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is QHCHWNDYBAORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrClN2O2S2.ClH/c1-5(11-2)4-12-16(13,14)6-3-7(9)15-8(6)10;/h3,5,11-12H,4H2,1-2H3;1H.
What are the key properties of 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride?
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 384.15 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120824863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).