3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide

C11H12BrN3O2S2 — CID 61456046

IUPAC3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccncc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3O2S2/c1-15(2)10-3-5-13-7-9(10)14-19(16,17)11-8(12)4-6-18-11/h3-7,14H,1-2H3
InChIKeyYCZMTPOFBKMPQC-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.77
Rot. Bonds4

About 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide

3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 61456046) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID61456046
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccncc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3O2S2/c1-15(2)10-3-5-13-7-9(10)14-19(16,17)11-8(12)4-6-18-11/h3-7,14H,1-2H3
InChIKeyYCZMTPOFBKMPQC-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide (CID 61456046) is 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide is CN(C)c1ccncc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is YCZMTPOFBKMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c1-15(2)10-3-5-13-7-9(10)14-19(16,17)11-8(12)4-6-18-11/h3-7,14H,1-2H3.
What are the key properties of 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61456046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).