2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide

C11H10Br2N2O2S2 — CID 43604086

IUPAC2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H10Br2N2O2S2/c1-14-7-2-4-8(5-3-7)15-19(16,17)9-6-10(12)18-11(9)13/h2-6,14-15H,1H3
InChIKeyMFMHGILKRRNEMQ-UHFFFAOYSA-N
MW426.16 g/mol
LogP4.12
Rot. Bonds4

About 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide

2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide (PubChem CID 43604086) has the molecular formula C11H10Br2N2O2S2 and a molecular weight of 426.16 g/mol. Its IUPAC name is 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
PubChem CID43604086
Molecular FormulaC11H10Br2N2O2S2
Molecular Weight426.16 g/mol
Exact Mass423.86
IUPAC Name2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H10Br2N2O2S2/c1-14-7-2-4-8(5-3-7)15-19(16,17)9-6-10(12)18-11(9)13/h2-6,14-15H,1H3
InChIKeyMFMHGILKRRNEMQ-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.16
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoate
CID 43405556
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-3-sulfonamide
CID 63900723
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-5-iodobenzoic acid
CID 63408848
2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
CID 60651453
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056173

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide (CID 43604086) is 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide is CNc1ccc(NS(=O)(=O)c2cc(Br)sc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide?
The InChIKey is MFMHGILKRRNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S2/c1-14-7-2-4-8(5-3-7)15-19(16,17)9-6-10(12)18-11(9)13/h2-6,14-15H,1H3.
What are the key properties of 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide?
2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide has a molecular weight of 426.16 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 43604086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).