N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide

C16H21NO2S2 — CID 769134

IUPACN-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H21NO2S2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17-21(18,19)15-9-6-10-20-15/h5-12,17H,1-4H3
InChIKeyZHLJSKJSZNHSJZ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.80
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide

N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 769134) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID769134
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H21NO2S2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17-21(18,19)15-9-6-10-20-15/h5-12,17H,1-4H3
InChIKeyZHLJSKJSZNHSJZ-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 19683992
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
1-propan-2-yl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]thiourea
CID 25039011
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-fluorothiophene-2-sulfonamide
CID 175398216

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide (CID 769134) is N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide is CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZHLJSKJSZNHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17-21(18,19)15-9-6-10-20-15/h5-12,17H,1-4H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide?
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 323.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 769134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).