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

C10H11BrClN3O2S2 — CID 103858768

IUPAC5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cc(Cl)c(Br)s2)cnn1C
InChIInChI=1S/C10H11BrClN3O2S2/c1-6-7(4-13-15(6)2)5-14-19(16,17)9-3-8(12)10(11)18-9/h3-4,14H,5H2,1-2H3
InChIKeyIIMVPWORDRWNAY-UHFFFAOYSA-N
MW384.71 g/mol
LogP2.68
Rot. Bonds4

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

5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 103858768) has the molecular formula C10H11BrClN3O2S2 and a molecular weight of 384.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID103858768
Molecular FormulaC10H11BrClN3O2S2
Molecular Weight384.71 g/mol
Exact Mass382.92
IUPAC Name5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cc(Cl)c(Br)s2)cnn1C
InChIInChI=1S/C10H11BrClN3O2S2/c1-6-7(4-13-15(6)2)5-14-19(16,17)9-3-8(12)10(11)18-9/h3-4,14H,5H2,1-2H3
InChIKeyIIMVPWORDRWNAY-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103858773
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 103858731
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 103858768) is 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1c(CNS(=O)(=O)c2cc(Cl)c(Br)s2)cnn1C.
What is the InChIKey of 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is IIMVPWORDRWNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2S2/c1-6-7(4-13-15(6)2)5-14-19(16,17)9-3-8(12)10(11)18-9/h3-4,14H,5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 384.71 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103858768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).