3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

C10H13N3O2S — CID 3258067

IUPAC3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C10H13N3O2S/c11-8-3-1-4-9(7-8)16(14,15)13-10-5-2-6-12-10/h1,3-4,7H,2,5-6,11H2,(H,12,13)
InChIKeyHNLKVFHRRQVMPH-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.74
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (PubChem CID 3258067) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
PubChem CID3258067
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C10H13N3O2S/c11-8-3-1-4-9(7-8)16(14,15)13-10-5-2-6-12-10/h1,3-4,7H,2,5-6,11H2,(H,12,13)
InChIKeyHNLKVFHRRQVMPH-UHFFFAOYSA-N
XLogP0.74
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonamide, 3-amino-
CID 7377
3-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
CID 3406523
4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
CID 2061233
3-amino-N,N-dimethylbenzene-1-sulfonamide
CID 235520
3-(Pyrrolidin-1-ylsulphonyl)aniline
CID 2794790
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzene-1-sulfonamide
CID 729446
3-Amino-N-butylbenzenesulfonamide
CID 5137973
3-amino-N-cyclopropylbenzene-1-sulfonamide
CID 5303061
2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 2345185
3-Amino-N-diaminomethylene-benzenesulfonamide
CID 10536580
3-Amino-N-(amino-methoxy-methylene)-benzenesulfonamide
CID 10561384
N'-[(3-Aminophenyl)Sulfonyl]Carbonohydrazonic Diamide
CID 10609450

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (CID 3258067) is 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The InChIKey is HNLKVFHRRQVMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-8-3-1-4-9(7-8)16(14,15)13-10-5-2-6-12-10/h1,3-4,7H,2,5-6,11H2,(H,12,13).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3258067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).