5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C10H12BrN3O2S2 — CID 19575260

IUPAC5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S2/c1-7-8(6-14(2)13-7)5-12-18(15,16)10-4-3-9(11)17-10/h3-4,6,12H,5H2,1-2H3
InChIKeyRRBWRQHGFNTWHF-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 19575260) has the molecular formula C10H12BrN3O2S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID19575260
Molecular FormulaC10H12BrN3O2S2
Molecular Weight350.26 g/mol
Exact Mass348.96
IUPAC Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S2/c1-7-8(6-14(2)13-7)5-12-18(15,16)10-4-3-9(11)17-10/h3-4,6,12H,5H2,1-2H3
InChIKeyRRBWRQHGFNTWHF-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209573
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383282
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 122275603
4-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990135
2-amino-4,6-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989060
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 22209374
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22209381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 19575260) is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is RRBWRQHGFNTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S2/c1-7-8(6-14(2)13-7)5-12-18(15,16)10-4-3-9(11)17-10/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19575260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).