N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

C14H12ClN3O2S2 — CID 53083804

IUPACN-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H12ClN3O2S2/c1-9-8-10(15)2-3-11(9)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyXAPNGLGDYRDQQF-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.90
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53083804) has the molecular formula C14H12ClN3O2S2 and a molecular weight of 353.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53083804
Molecular FormulaC14H12ClN3O2S2
Molecular Weight353.86 g/mol
Exact Mass353.01
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H12ClN3O2S2/c1-9-8-10(15)2-3-11(9)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyXAPNGLGDYRDQQF-UHFFFAOYSA-N
XLogP3.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53083804) is N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is XAPNGLGDYRDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S2/c1-9-8-10(15)2-3-11(9)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 353.86 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53083804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).