4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

C13H19ClN2O2S — CID 107399642

IUPAC4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)11-6-7-13(15)12(14)8-11/h6-8,10H,2-5,9,15H2,1H3
InChIKeyARRCOOTUCPHPGA-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 107399642) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
PubChem CID107399642
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)11-6-7-13(15)12(14)8-11/h6-8,10H,2-5,9,15H2,1H3
InChIKeyARRCOOTUCPHPGA-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (CID 107399642) is 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is ARRCOOTUCPHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-16(9-10-4-3-5-10)19(17,18)11-6-7-13(15)12(14)8-11/h6-8,10H,2-5,9,15H2,1H3.
What are the key properties of 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 107399642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).