4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide

C11H17N3O2S — CID 82898306

IUPAC4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCC1CC1
InChIInChI=1S/C11H17N3O2S/c12-10-4-3-9(17(13,15)16)7-11(10)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12H2,(H2,13,15,16)
InChIKeyGAFKIXNMYDMKPZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.13
Rot. Bonds5

About 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide

4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide (PubChem CID 82898306) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
PubChem CID82898306
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCC1CC1
InChIInChI=1S/C11H17N3O2S/c12-10-4-3-9(17(13,15)16)7-11(10)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12H2,(H2,13,15,16)
InChIKeyGAFKIXNMYDMKPZ-UHFFFAOYSA-N
XLogP1.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide (CID 82898306) is 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCCC1CC1.
What is the InChIKey of 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide?
The InChIKey is GAFKIXNMYDMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-10-4-3-9(17(13,15)16)7-11(10)14-6-5-8-1-2-8/h3-4,7-8,14H,1-2,5-6,12H2,(H2,13,15,16).
What are the key properties of 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide?
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide is sourced from PubChem (CID 82898306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).