N-benzyl-N-propan-2-ylthiophene-2-sulfonamide

C14H17NO2S2 — CID 2813900

IUPACN-benzyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-12(2)15(11-13-7-4-3-5-8-13)19(16,17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3
InChIKeyOGINWZMXLFDCDB-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-N-propan-2-ylthiophene-2-sulfonamide

N-benzyl-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 2813900) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID2813900
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-benzyl-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-12(2)15(11-13-7-4-3-5-8-13)19(16,17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3
InChIKeyOGINWZMXLFDCDB-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657
4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61300920
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
CID 154740383
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-propan-2-ylthiophene-2-sulfonamide (CID 2813900) is N-benzyl-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-ylthiophene-2-sulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is OGINWZMXLFDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-12(2)15(11-13-7-4-3-5-8-13)19(16,17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylthiophene-2-sulfonamide?
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2813900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).