2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide

C13H15N3O3S — CID 110446210

IUPAC2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCc1ccc[nH]1
InChIInChI=1S/C13H15N3O3S/c17-13(15-9-11-5-4-8-14-11)10-16-20(18,19)12-6-2-1-3-7-12/h1-8,14,16H,9-10H2,(H,15,17)
InChIKeySIBLSFYHWJPZHA-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.61
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide (PubChem CID 110446210) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
PubChem CID110446210
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCc1ccc[nH]1
InChIInChI=1S/C13H15N3O3S/c17-13(15-9-11-5-4-8-14-11)10-16-20(18,19)12-6-2-1-3-7-12/h1-8,14,16H,9-10H2,(H,15,17)
InChIKeySIBLSFYHWJPZHA-UHFFFAOYSA-N
XLogP0.61
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide 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

2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2-(benzenesulfonamido)-N-(1H-imidazol-2-yl)acetamide
CID 63563864
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
2-amino-4-oxo-4-(1H-pyrrol-2-ylmethylamino)butanoic acid
CID 115181073
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide (CID 110446210) is 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccccc1)NCc1ccc[nH]1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The InChIKey is SIBLSFYHWJPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-13(15-9-11-5-4-8-14-11)10-16-20(18,19)12-6-2-1-3-7-12/h1-8,14,16H,9-10H2,(H,15,17).
What are the key properties of 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide is sourced from PubChem (CID 110446210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).