3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide

C14H23N3O2S — CID 64922106

IUPAC3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCCC1CCC(Nc2ccc(S(N)(=O)=O)cc2N)C1C
InChIInChI=1S/C14H23N3O2S/c1-3-10-4-6-13(9(10)2)17-14-7-5-11(8-12(14)15)20(16,18)19/h5,7-10,13,17H,3-4,6,15H2,1-2H3,(H2,16,18,19)
InChIKeyVLVRITDJRWKCII-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide

3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide (PubChem CID 64922106) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
PubChem CID64922106
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
SMILESCCC1CCC(Nc2ccc(S(N)(=O)=O)cc2N)C1C
InChIInChI=1S/C14H23N3O2S/c1-3-10-4-6-13(9(10)2)17-14-7-5-11(8-12(14)15)20(16,18)19/h5,7-10,13,17H,3-4,6,15H2,1-2H3,(H2,16,18,19)
InChIKeyVLVRITDJRWKCII-UHFFFAOYSA-N
XLogP2.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.15
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

5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
CID 79901581
2-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 79467520
2-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 115992795
1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 64920923
3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
CID 64909074
3-N-(3-ethyl-2-methylcyclopentyl)-2-nitrobenzene-1,3-diamine
CID 80841593
3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
CID 113474954
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
7-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]-4H-1,4-benzoxazin-3-one
CID 64921513
3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
CID 83004536
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide (CID 64922106) is 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide is CCC1CCC(Nc2ccc(S(N)(=O)=O)cc2N)C1C.
What is the InChIKey of 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is VLVRITDJRWKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-10-4-6-13(9(10)2)17-14-7-5-11(8-12(14)15)20(16,18)19/h5,7-10,13,17H,3-4,6,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide?
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 64922106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).