4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide

C11H15ClN2O2S — CID 113288425

IUPAC4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2)6-10(11)14-17(15,16)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6,13H2,1-2H3
InChIKeyCQWLQWXDFZIKCY-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.00
Rot. Bonds3

About 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide

4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide (PubChem CID 113288425) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
PubChem CID113288425
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2)6-10(11)14-17(15,16)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6,13H2,1-2H3
InChIKeyCQWLQWXDFZIKCY-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
CID 81438418
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
CID 114108611
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
3-amino-N-(2,2-dimethylcyclopropyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791780
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
CID 115944462

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide (CID 113288425) is 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide is CC1(C)CC1NS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The InChIKey is CQWLQWXDFZIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(2)6-10(11)14-17(15,16)7-3-4-9(13)8(12)5-7/h3-5,10,14H,6,13H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 113288425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).