3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide

C13H21N3O2S — CID 63995222

IUPAC3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(CC1CC1)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O2S/c1-2-11(5-9-3-4-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18)
InChIKeySAAIWMUJUCYBFI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.91
Rot. Bonds6

About 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide

3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide (PubChem CID 63995222) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
PubChem CID63995222
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(CC1CC1)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O2S/c1-2-11(5-9-3-4-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18)
InChIKeySAAIWMUJUCYBFI-UHFFFAOYSA-N
XLogP1.91
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide (CID 63995222) is 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide is CCC(CC1CC1)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide?
The InChIKey is SAAIWMUJUCYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-11(5-9-3-4-9)16-12-6-10(14)7-13(8-12)19(15,17)18/h6-9,11,16H,2-5,14H2,1H3,(H2,15,17,18).
What are the key properties of 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide?
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 63995222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).