5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

C18H19N3O2S2 — CID 20947471

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C18H19N3O2S2/c1-12-11-16(20-19-12)17-9-10-18(24-17)25(22,23)21-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15,21H,4,6,8H2,1H3,(H,19,20)
InChIKeyCENSRCXVJAPLLV-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.80
Rot. Bonds4

About 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 20947471) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID20947471
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C18H19N3O2S2/c1-12-11-16(20-19-12)17-9-10-18(24-17)25(22,23)21-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15,21H,4,6,8H2,1H3,(H,19,20)
InChIKeyCENSRCXVJAPLLV-UHFFFAOYSA-N
XLogP3.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
Pendrin inhibitor C01
CID 53138907
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
2-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20947446
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947476
N-(4-Fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-YL)thiophene-2-sulfonamide
CID 20947487

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (CID 20947471) is 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is CENSRCXVJAPLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-11-16(20-19-12)17-9-10-18(24-17)25(22,23)21-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15,21H,4,6,8H2,1H3,(H,19,20).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).