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

C13H19ClN2O2S — CID 79351598

IUPAC3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1(C)C
InChIInChI=1S/C13H19ClN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)8-5-6-9(14)10(15)7-8/h5-7,11,16H,15H2,1-4H3
InChIKeyHAZHUCQCBURIBM-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.64
Rot. Bonds3

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

3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79351598) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79351598
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1(C)C
InChIInChI=1S/C13H19ClN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)8-5-6-9(14)10(15)7-8/h5-7,11,16H,15H2,1-4H3
InChIKeyHAZHUCQCBURIBM-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.64
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

3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351747
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
6-amino-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79352951
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357481
3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181167
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79351598) is 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1(C)C.
What is the InChIKey of 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is HAZHUCQCBURIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)8-5-6-9(14)10(15)7-8/h5-7,11,16H,15H2,1-4H3.
What are the key properties of 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79351598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).