5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide

C9H14BrClN2O2S2 — CID 115302757

IUPAC5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H14BrClN2O2S2/c1-6(4-12-2)5-13-17(14,15)8-3-7(11)9(10)16-8/h3,6,12-13H,4-5H2,1-2H3
InChIKeyHTYLYPBOAKQJKQ-UHFFFAOYSA-N
MW361.71 g/mol
LogP2.30
Rot. Bonds6

About 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide (PubChem CID 115302757) has the molecular formula C9H14BrClN2O2S2 and a molecular weight of 361.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
PubChem CID115302757
Molecular FormulaC9H14BrClN2O2S2
Molecular Weight361.71 g/mol
Exact Mass359.94
IUPAC Name5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H14BrClN2O2S2/c1-6(4-12-2)5-13-17(14,15)8-3-7(11)9(10)16-8/h3,6,12-13H,4-5H2,1-2H3
InChIKeyHTYLYPBOAKQJKQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 106256219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide (CID 115302757) is 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide is CNCC(C)CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is HTYLYPBOAKQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrClN2O2S2/c1-6(4-12-2)5-13-17(14,15)8-3-7(11)9(10)16-8/h3,6,12-13H,4-5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 361.71 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115302757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).