5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide

C11H13BrN2O2S2 — CID 110416286

IUPAC5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)[nH]1
InChIInChI=1S/C11H13BrN2O2S2/c1-7-5-9(8(2)14-7)6-13-18(15,16)11-4-3-10(12)17-11/h3-5,13-14H,6H2,1-2H3
InChIKeyPWSNHHZAAFBADO-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110416286) has the molecular formula C11H13BrN2O2S2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID110416286
Molecular FormulaC11H13BrN2O2S2
Molecular Weight349.28 g/mol
Exact Mass347.96
IUPAC Name5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)[nH]1
InChIInChI=1S/C11H13BrN2O2S2/c1-7-5-9(8(2)14-7)6-13-18(15,16)11-4-3-10(12)17-11/h3-5,13-14H,6H2,1-2H3
InChIKeyPWSNHHZAAFBADO-UHFFFAOYSA-N
XLogP2.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209573
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]propane-1-sulfonamide
CID 110416246
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide (CID 110416286) is 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)[nH]1.
What is the InChIKey of 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PWSNHHZAAFBADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S2/c1-7-5-9(8(2)14-7)6-13-18(15,16)11-4-3-10(12)17-11/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 349.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110416286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).