2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide

C13H21N3O2S — CID 79466462

IUPAC2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
SMILESCC1(C)C(Nc2ccc(S(N)(=O)=O)c(N)c2)C1(C)C
InChIInChI=1S/C13H21N3O2S/c1-12(2)11(13(12,3)4)16-8-5-6-10(9(14)7-8)19(15,17)18/h5-7,11,16H,14H2,1-4H3,(H2,15,17,18)
InChIKeyNGAPJPBROYETAN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide

2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide (PubChem CID 79466462) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
PubChem CID79466462
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
SMILESCC1(C)C(Nc2ccc(S(N)(=O)=O)c(N)c2)C1(C)C
InChIInChI=1S/C13H21N3O2S/c1-12(2)11(13(12,3)4)16-8-5-6-10(9(14)7-8)19(15,17)18/h5-7,11,16H,14H2,1-4H3,(H2,15,17,18)
InChIKeyNGAPJPBROYETAN-UHFFFAOYSA-N
XLogP1.76
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.76
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

2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 79467242
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 79466811
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 79467520
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-(3-amino-4-sulfamoylanilino)-2-methylpropanamide
CID 79467145

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide (CID 79466462) is 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide is CC1(C)C(Nc2ccc(S(N)(=O)=O)c(N)c2)C1(C)C.
What is the InChIKey of 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is NGAPJPBROYETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12(2)11(13(12,3)4)16-8-5-6-10(9(14)7-8)19(15,17)18/h5-7,11,16H,14H2,1-4H3,(H2,15,17,18).
What are the key properties of 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide?
2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).