N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide

C12H16N2O2S2 — CID 132507890

IUPACN-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide
SMILESCCCCN(c1ccc[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-2-3-9-14(11-6-4-8-13-11)18(15,16)12-7-5-10-17-12/h4-8,10,13H,2-3,9H2,1H3
InChIKeyFGKDYBKVLYBYQB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.07
Rot. Bonds6

About N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide

N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide (PubChem CID 132507890) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide
PubChem CID132507890
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide
SMILESCCCCN(c1ccc[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-2-3-9-14(11-6-4-8-13-11)18(15,16)12-7-5-10-17-12/h4-8,10,13H,2-3,9H2,1H3
InChIKeyFGKDYBKVLYBYQB-UHFFFAOYSA-N
XLogP3.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
CID 39967068
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-pentyl-N-(1H-pyrrol-2-yl)formamide
CID 173285327
2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 2107882
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-pentylthiophene-2-sulfonamide
CID 5150701
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-butylsulfonylthionine
CID 174380591

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide (CID 132507890) is N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide is CCCCN(c1ccc[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide?
The InChIKey is FGKDYBKVLYBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-2-3-9-14(11-6-4-8-13-11)18(15,16)12-7-5-10-17-12/h4-8,10,13H,2-3,9H2,1H3.
What are the key properties of N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide?
N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide has a molecular weight of 284.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 132507890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).