3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide

C11H15N3O2S — CID 113474954

IUPAC3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NC1CC=CC1
InChIInChI=1S/C11H15N3O2S/c12-10-7-9(17(13,15)16)5-6-11(10)14-8-3-1-2-4-8/h1-2,5-8,14H,3-4,12H2,(H2,13,15,16)
InChIKeyAFNJZOCWPMXGGK-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide

3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide (PubChem CID 113474954) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
PubChem CID113474954
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NC1CC=CC1
InChIInChI=1S/C11H15N3O2S/c12-10-7-9(17(13,15)16)5-6-11(10)14-8-3-1-2-4-8/h1-2,5-8,14H,3-4,12H2,(H2,13,15,16)
InChIKeyAFNJZOCWPMXGGK-UHFFFAOYSA-N
XLogP1.05
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 64922106
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
1-N-(4-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448004
4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
4-methylsulfonyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43609787
3-amino-4-(3,4,5-trifluoroanilino)benzenesulfonamide
CID 62809987
3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
CID 83004536
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide (CID 113474954) is 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1NC1CC=CC1.
What is the InChIKey of 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide?
The InChIKey is AFNJZOCWPMXGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-10-7-9(17(13,15)16)5-6-11(10)14-8-3-1-2-4-8/h1-2,5-8,14H,3-4,12H2,(H2,13,15,16).
What are the key properties of 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide?
3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 113474954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).