2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide

C13H17ClN2O2S — CID 61479392

IUPAC2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H17ClN2O2S/c14-10-5-6-11(15)12(7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2
InChIKeyYZSJCNGRVJXOOU-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide

2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide (PubChem CID 61479392) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
PubChem CID61479392
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H17ClN2O2S/c14-10-5-6-11(15)12(7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2
InChIKeyYZSJCNGRVJXOOU-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.39
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

2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348107
4-chloro-2-(cyclopropylmethylsulfonyl)aniline
CID 81181138
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476917
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide (CID 61479392) is 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The InChIKey is YZSJCNGRVJXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-10-5-6-11(15)12(7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2.
What are the key properties of 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide has a molecular weight of 300.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 61479392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).