N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide

C12H16ClN3O2S2 — CID 103100336

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)sc1Cl
InChIInChI=1S/C12H16ClN3O2S2/c1-7-5-10(19-11(7)13)20(17,18)16-9-6-8(14-15-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyUNJCZXNAEJNDPA-UHFFFAOYSA-N
MW333.87 g/mol
LogP3.53
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide (PubChem CID 103100336) has the molecular formula C12H16ClN3O2S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide
PubChem CID103100336
Molecular FormulaC12H16ClN3O2S2
Molecular Weight333.87 g/mol
Exact Mass333.04
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)sc1Cl
InChIInChI=1S/C12H16ClN3O2S2/c1-7-5-10(19-11(7)13)20(17,18)16-9-6-8(14-15-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyUNJCZXNAEJNDPA-UHFFFAOYSA-N
XLogP3.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
CID 91651974
5-chloro-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 166203517
5-chloro-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 72105472
4,5-dibromo-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3743848
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide
CID 3745386
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3748031
N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3799442
2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 3833413
5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 5006789
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 25038237
N-(5-Ethyl-4-methyl-1H-pyrazol-3-YL)thiophene-2-sulfonamide
CID 86804390
5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 103100316

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide (CID 103100336) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)sc1Cl.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide?
The InChIKey is UNJCZXNAEJNDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S2/c1-7-5-10(19-11(7)13)20(17,18)16-9-6-8(14-15-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide has a molecular weight of 333.87 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).