5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C14H13BrN4O2S2 — CID 90555814

IUPAC5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(Br)s2)cc1-c1ccccn1
InChIInChI=1S/C14H13BrN4O2S2/c1-19-12(11-4-2-3-7-16-11)8-10(18-19)9-17-23(20,21)14-6-5-13(15)22-14/h2-8,17H,9H2,1H3
InChIKeyKCVXITIITPDZCB-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.78
Rot. Bonds5

About 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 90555814) has the molecular formula C14H13BrN4O2S2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID90555814
Molecular FormulaC14H13BrN4O2S2
Molecular Weight413.32 g/mol
Exact Mass411.97
IUPAC Name5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc(Br)s2)cc1-c1ccccn1
InChIInChI=1S/C14H13BrN4O2S2/c1-19-12(11-4-2-3-7-16-11)8-10(18-19)9-17-23(20,21)14-6-5-13(15)22-14/h2-8,17H,9H2,1H3
InChIKeyKCVXITIITPDZCB-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 90555814) is 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is Cn1nc(CNS(=O)(=O)c2ccc(Br)s2)cc1-c1ccccn1.
What is the InChIKey of 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KCVXITIITPDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2S2/c1-19-12(11-4-2-3-7-16-11)8-10(18-19)9-17-23(20,21)14-6-5-13(15)22-14/h2-8,17H,9H2,1H3.
What are the key properties of 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 413.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90555814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).