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

C11H17N3O2S — CID 82907020

IUPAC4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
SMILESCC1(C)CC1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H17N3O2S/c1-11(2)6-10(11)14-9-5-7(17(13,15)16)3-4-8(9)12/h3-5,10,14H,6,12H2,1-2H3,(H2,13,15,16)
InChIKeyVGFZCIJHTGMXGR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.13
Rot. Bonds3

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

4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide (PubChem CID 82907020) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
PubChem CID82907020
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
SMILESCC1(C)CC1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H17N3O2S/c1-11(2)6-10(11)14-9-5-7(17(13,15)16)3-4-8(9)12/h3-5,10,14H,6,12H2,1-2H3,(H2,13,15,16)
InChIKeyVGFZCIJHTGMXGR-UHFFFAOYSA-N
XLogP1.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-[(2,2-dimethylcyclopropyl)amino]benzamide
CID 63356653
4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 82898599
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
3-bromo-4-[(4,4-dimethylthian-3-yl)amino]benzenesulfonamide
CID 79948013
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide (CID 82907020) is 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide is CC1(C)CC1Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is VGFZCIJHTGMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2)6-10(11)14-9-5-7(17(13,15)16)3-4-8(9)12/h3-5,10,14H,6,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide?
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).